3NO9
Crystal Structure of apo fumarate hydratase from Mycobacterium tuberculosis
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-04-17 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | C 1 2 1 |
格子定数 [Å] | 271.224, 96.555, 89.889 |
格子定数 [度] | 90.00, 102.99, 90.00 |
精密化法
残基 | 48.520 - 2.480 |
R因子 | 0.208 |
Rwork | 0.206 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yfe |
結合長の平均二乗偏差(RMSD) [Å] | 0.008 |
結合角の平均二乗偏差(RMSD) [度] | 1.058 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 48.523 | 2.590 |
分解能 [Å] (高) | 2.480 | 2.480 |
Rmerge_l_obs | 0.151 | 0.414 |
独立反射数 | 70730 | |
<I/σ(I)> | 8.6 | 2.39 |
完全性 [%] | 88.5 | 71.9 |
冗長性 | 3.1 | 2.5 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | 4.5 | 293 | 18% PEG 400, 0.1M sodium acetate pH 4.5, 0.2M calcium chloride, drop ratio 1:1, protein concentration 8mg/ml, VAPOR DIFFUSION, HANGING DROP, temperature 293K |