6GGH
Human jak1 kinase domain in complex with inhibitor
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-20 |
| Detector | DECTRIS PILATUS3 X 1M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 1 21 1 |
| 格子定数 [Å] | 42.987, 170.327, 45.026 |
| 格子定数 [度] | 90.00, 94.06, 90.00 |
精密化法
| 残基 | 85.160 - 1.700 |
| R因子 | 0.19229 |
| Rwork | 0.189 |
| R-free | 0.26186 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3eyg |
| 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] | 1.297 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.6.0117) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 85.160 | 1.950 |
| 分解能 [Å] (高) | 1.700 | 1.700 |
| Rmerge_l_obs | 0.050 | 0.440 |
| 独立反射数 | 68097 | |
| <I/σ(I)> | 10.94 | |
| 完全性 [%] | 96.4 | 96.4 |
| 冗長性 | 2.3 | 2.3 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 278 | 27% (m/v) PEG6000, 0.1 M MES/NaOH pH 6.0 and 5 mM DTT |
