5VRM
CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333.
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-10 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 1 2 1 |
| 格子定数 [Å] | 125.350, 92.680, 101.930 |
| 格子定数 [度] | 90.00, 105.59, 90.00 |
精密化法
| 残基 | 49.090 - 2.500 |
| R因子 | 0.193 |
| Rwork | 0.192 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.011 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.413 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 49.090 | 2.560 |
| 分解能 [Å] (高) | 2.500 | 2.500 |
| Rmerge_l_obs | 0.059 | 0.515 |
| 独立反射数 | 38978 | |
| <I/σ(I)> | 22.82 | 4.6 |
| 完全性 [%] | 99.9 | 100 |
| 冗長性 | 9 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 289 | INHA, ENOYL-ACP REDUCTASE FROM MYCOBACTERIUM TUBERCULOSIS, R5645 AT 10.0 MG/ML (340UM), BATCH NUMBER 1526003A, IN 20MM PIPES PH 7.3, 50 MM NACL, WITH 3.5MM NAD+ (EBSI1606) AND 420UM AN2918 (EBSI4012) AGAINST OPTIMIZATION SCREEN ACR_PEGISH_AMAC_DMSO_ADA WELL E4: 0.1M ADA/NAOH PH6.8, 12.0% W/V PEG 4,000, 0.25M AMMONIUM ACETATE, AND CRYO-PROTECTED IN 40% MPD WITH 0.1MM OF EACH COMPOUND; CRYSTAL TRACKING ID 249555E4 (BUV9-3), PH 6.80, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 289K |
