8F4Z
Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with chloroquine
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-14 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | H 3 2 |
| 格子定数 [Å] | 174.959, 174.959, 124.489 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 分解能 | 43.780 - 2.100 |
| R因子 | 0.16809 |
| Rwork | 0.166 |
| R-free | 0.20223 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3r1k |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.010 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.576 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 2.140 |
| 分解能 [Å] (高) | 2.100 | 2.100 |
| Rmerge_l_obs | 0.110 | |
| 独立反射数 | 42776 | 2113 |
| <I/σ(I)> | 18.1 | |
| 完全性 [%] | 99.9 | |
| 冗長性 | 8.3 | |
| CC(1/2) | 1.000 | 0.850 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | Tris-HCl pH 8.5 (0.1 M), PEG 8000 (10% w/v), and (NH4)2SO4 (0.5 M) |
