4IQC
P3121 crystal form of FKBP12.6
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-07-10 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 31 2 1 |
| 格子定数 [Å] | 52.816, 52.816, 152.949 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 残基 | 45.740 - 1.903 |
| R因子 | 0.1967 |
| Rwork | 0.195 |
| R-free | 0.22160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1c9h |
| 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] | 1.075 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 100.000 | 1.930 |
| 分解能 [Å] (高) | 1.900 | 1.900 |
| Rmerge_l_obs | 0.094 | 0.894 |
| 独立反射数 | 20094 | |
| <I/σ(I)> | 22.5 | 0.9 |
| 完全性 [%] | 99.3 | 93.5 |
| 冗長性 | 8.8 | 4.2 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 62% ammonium sulfate, 0.1 M HEPES, pH 7.5, 4% isopropanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
