4JBA
Crystal Structure of the Oxidized Form of MarR from E.coli
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-01-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 31 2 1 |
| 格子定数 [Å] | 62.270, 62.270, 161.880 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 残基 | 50.000 - 2.500 |
| R因子 | 0.2419 |
| Rwork | 0.241 |
| R-free | 0.26360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.007 |
| 結合角の平均二乗偏差(RMSD) [度] | 0.595 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC (5.6.0117) |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 53.960 | 44.879 | 2.640 |
| 分解能 [Å] (高) | 2.500 | 7.910 | 2.500 |
| Rmerge_l_obs | 0.071 | 0.781 | |
| Total number of observations | 2478 | 14489 | |
| 独立反射数 | 13130 | ||
| <I/σ(I)> | 11.6 | 8 | 1 |
| 完全性 [%] | 99.7 | 90.4 | 99.9 |
| 冗長性 | 7.5 | 5.7 | 7.8 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 5% Tacsimate,0.1M HEPES, 10% PEG 5000MME, 0.3M NaCl, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
