SAD or MAD phasing: location of the anomalous scatterers

被引:19
作者
Burla, MC
Carrozzini, B
Cascarano, GL
Giacovazzo, C
Polidori, G
机构
[1] Univ Bari, Dipartimento Geomineral, CNR, Ist Cristallog, I-70125 Bari, Italy
[2] Dipartimento Sci Terra, I-06100 Perugia, Italy
来源
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY | 2003年 / 59卷
关键词
D O I
10.1107/S0907444903002129
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
The method of joint probability distribution functions is applied in order to estimate the structure-factor moduli of the anomalous scatterer substructure both in the SAD (single-wavelength anomalous dispersion) and in the MAD (multi-wavelength anomalous dispersion) cases. The experimental data \F-1(+)\,\F-1(-)\,...,\F-n(+)\,\F-n(-)\ measured at n wavelengths are used simultaneously to estimate the value of \F-oa\ arising from the normal scattering of the anomalous scatterers. A practical procedure is described that, when applied to the experimental diffraction data of several proteins, shows robustness and efficiency.
引用
收藏
页码:662 / 669
页数:8
相关论文
共 35 条
[1]   Structure of coronavirus main proteinase reveals combination of a chymotrypsin fold with an extra α-helical domain [J].
Anand, K ;
Palm, GJ ;
Mesters, JR ;
Siddell, SG ;
Ziebuhr, J ;
Hilgenfeld, R .
EMBO JOURNAL, 2002, 21 (13) :3213-3224
[2]   MAD phasing:: probabilistic estimate of |Foa| [J].
Burla, MC ;
Carrozzini, B ;
Cascarano, GL ;
Giacovazzo, C ;
Polidori, G ;
Siliqi, D .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2002, 58 :928-935
[3]   SIR2000-N, a program for large and small crystal structures [J].
Burla, MC ;
Camalli, M ;
Carrozzini, B ;
Cascarano, GL ;
Giacovazzo, C ;
Polidori, G ;
Spagna, R .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2001, 34 :523-526
[4]  
BURLA MC, 2003, IN PRESS
[5]  
CALDERONE V, 2002, Z KRISTALLOGR, V217, P629
[6]   IMPROVED FIGURES OF MERIT FOR DIRECT METHODS [J].
CASCARANO, G ;
GIACOVAZZO, C ;
GUAGLIARDI, A .
ACTA CRYSTALLOGRAPHICA SECTION A, 1992, 48 :859-865
[7]   FIGURES OF MERIT IN DIRECT METHODS - A NEW POINT-OF-VIEW [J].
CASCARANO, G ;
GIACOVAZZO, C ;
VITERBO, D .
ACTA CRYSTALLOGRAPHICA SECTION A, 1987, 43 :22-29
[8]   THE METHOD OF REPRESENTATIONS OF STRUCTURE SEMINVARIANTS - THE STRENGTHENING OF TRIPLET RELATIONSHIPS [J].
CASCARANO, G ;
GIACOVAZZO, C ;
CAMALLI, M ;
SPAGNA, R ;
BURLA, MC ;
NUNZI, A ;
POLIDORI, G .
ACTA CRYSTALLOGRAPHICA SECTION A, 1984, 40 (MAY) :278-283
[9]  
CHEN CCH, 2000, ABSTR AM CRYST ASS M
[10]   RELATIONS BETWEEN THE PHASES OF STRUCTURE FACTORS [J].
COCHRAN, W .
ACTA CRYSTALLOGRAPHICA, 1955, 8 (08) :473-478