1S2Z
X-ray crystal structure of Desulfovibrio vulgaris Rubrerythrin with displacement of iron by zinc at the diiron Site
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-12-23 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | I 2 2 2 |
格子定数 [Å] | 48.701, 80.290, 100.066 |
格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
残基 | 11.950 - 1.750 |
R因子 | 0.178 |
Rwork | 0.178 |
R-free | 0.19600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lkm |
結合長の平均二乗偏差(RMSD) [Å] | 0.005 |
結合角の平均二乗偏差(RMSD) [度] | 1.000 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 11.950 | 1.810 |
分解能 [Å] (高) | 1.750 | 1.750 |
Rmerge_l_obs | 0.041 | 0.117 |
独立反射数 | 38307 | |
<I/σ(I)> | 20.1 | 11.3 |
完全性 [%] | 99.7 | 99.6 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 298 | PEG 1450, Tris, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K |