1DMS
STRUCTURE OF DMSO REDUCTASE
Experimental procedure
Source type | SYNCHROTRON |
Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
Synchrotron site | MPG/DESY, HAMBURG |
Beamline | BW6 |
Temperature [K] | 289 |
Detector technology | IMAGE PLATE |
Collection date | 1994-06-17 |
Detector | MARRESEARCH |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 21 2 |
格子定数 [Å] | 80.700, 80.700, 229.200 |
格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
残基 | 8.000 - 1.880 |
R因子 | 0.169 |
Rwork | 0.169 |
R-free | 0.20300 |
結合長の平均二乗偏差(RMSD) [Å] | 0.009 * |
結合角の平均二乗偏差(RMSD) [度] | 1.775 * |
Data reduction software | MOSFLM (V. 5.21-5.23) |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Quality characteristics
Overall | |
分解能 [Å] (高) | 1.880 * |
Rmerge_l_obs | 0.059 |
Total number of observations | 227189 * |
独立反射数 | 58291 * |
完全性 [%] | 93.3 |
冗長性 | 3.9 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | Vapor diffusion * | 6.5 * | 30 * |
文献の結晶化試薬
ID | 結晶ID | 溶液 | 試薬名 | 濃度 (単位) (単位) | 詳細 |
1 | 1 | drop | MPD | 30 (%(v/v)) | |
2 | 1 | drop | PEG4000 | 10 (%(w/v)) | |
3 | 1 | reservoir | MES | 0.1 (M) |