4FIK
Human carbonic anhydrase II H64A complexed with thioxolone hydrolysis products
「3IQK」から置き換えられましたExperimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-12-16 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.938 |
| Spacegroup name | P 1 21 1 |
| 格子定数 [Å] | 42.370, 41.380, 72.060 |
| 格子定数 [度] | 90.00, 104.10, 90.00 |
精密化法
| 残基 | 15.643 - 1.200 |
| R因子 | 0.1168 |
| Rwork | 0.116 |
| R-free | 0.13740 |
| Structure solution method | AB INITIO |
| Starting model (for MR) | 1g0f |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.012 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.510 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 19.960 | 1.240 |
| 分解能 [Å] (高) | 1.200 | 1.200 |
| Rmerge_l_obs | 0.055 | 0.342 |
| 独立反射数 | 70016 | |
| <I/σ(I)> | 12.7 | 2.7 |
| 完全性 [%] | 92.4 | 78.2 |
| 冗長性 | 2.4 | 2.1 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 50MM TRIS-HCL, 2.6M AMMONIUM SULFATE, 2UL OF 100UM THIOXOLONE ADDED TO DROP 24HRS PRIOR TO FREEZING, PH 8.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K |
