6GM9
Human Carbonic Anhydrase II in complex with 4-Methylbenzenesulfonamide
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-05-03 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| 格子定数 [Å] | 42.365, 41.472, 72.273 |
| 格子定数 [度] | 90.00, 104.66, 90.00 |
精密化法
| 残基 | 23.792 - 1.089 |
| R因子 | 0.104 |
| Rwork | 0.103 |
| R-free | 0.11840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ks3 |
| 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] | 1.125 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 41.472 | 1.095 |
| 分解能 [Å] (高) | 1.089 | 1.089 |
| 独立反射数 | 99517 | 15508 |
| <I/σ(I)> | 15.44 | 5.15 |
| 完全性 [%] | 98.1 | 95.6 |
| 冗長性 | 3.62 | 3.64 |
| CC(1/2) | 0.998 | 0.956 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 291 | Ammoniumsulfate 2.70 M, pH = 7.8, saturated with p-Chloromercurybenzoic acid |
