1XI9
Alanine aminotransferase from Pyrococcus furiosus Pfu-1397077-001
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | SBC-3 |
Spacegroup name | P 1 21 1 |
格子定数 [Å] | 61.804, 188.089, 72.583 |
格子定数 [度] | 90.00, 89.79, 90.00 |
精密化法
残基 | 42.260 - 2.330 |
R因子 | 0.20335 |
Rwork | 0.202 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gd9 |
結合長の平均二乗偏差(RMSD) [Å] | 0.013 |
結合角の平均二乗偏差(RMSD) [度] | 1.471 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (refmac_5.2.0005) |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 50.000 | 2.420 |
分解能 [Å] (高) | 2.330 | 2.330 |
Rmerge_l_obs | 0.053 | 0.230 |
独立反射数 | 69038 | |
完全性 [%] | 98.6 | 91.2 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | 7.4 | 291 | 15%w/v PEG-3350, 0.4 micromoles per liter cesium chloride, 0.15M ammonium citrate, pH 7.4, modified microbatch, temperature 291K, pH 7.40 |