6AAZ
Crystal structure of Methanosarcina mazei PylRS(Y306A/Y384F) complexed with pNO2ZLys
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL32XU |
| Synchrotron site | SPring-8 |
| Beamline | BL32XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-22 |
| Detector | RAYONIX MX225-HS |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| 格子定数 [Å] | 101.378, 44.107, 72.673 |
| 格子定数 [度] | 90.00, 118.63, 90.00 |
精密化法
| 残基 | 39.519 - 1.842 |
| R因子 | 0.2342 |
| Rwork | 0.231 |
| R-free | 0.27490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zim |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.003 |
| 結合角の平均二乗偏差(RMSD) [度] | 0.744 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 1.890 |
| 分解能 [Å] (高) | 1.840 | 1.840 |
| Rmeas | 0.213 | |
| Rpim | 0.114 | 0.314 |
| 独立反射数 | 24060 | 1161 |
| <I/σ(I)> | 10.5 | |
| 完全性 [%] | 98.0 | |
| 冗長性 | 3.3 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 281 | Tris-HCl (pH 8.5), PEG 200, KCl, MgCl2, sodium citrate |
