5EZY
Crystal structure of T2R-TTL-taccalonolide AJ complex
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-01-27 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 21 21 21 |
格子定数 [Å] | 105.304, 158.505, 180.809 |
格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
残基 | 45.202 - 2.050 |
R因子 | 0.1883 |
Rwork | 0.187 |
R-free | 0.20760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4i55 |
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] | 0.822 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 50.000 | 2.090 |
分解能 [Å] (高) | 2.050 | 2.050 |
Rmerge_l_obs | 0.108 | 0.789 |
独立反射数 | 188559 | |
<I/σ(I)> | 14.6 | 1.9 |
完全性 [%] | 99.9 | 99.9 |
冗長性 | 6.7 | 6.9 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 6% polyethylene glycol 4000, 8% glycerol, 0.1 M MES, 30 mM CaCl2, 30 mM MgCl2, pH 6.7 |