4NJ5
Crystal structure of SUVH9
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.2823 |
Spacegroup name | P 21 21 21 |
格子定数 [Å] | 63.679, 84.197, 99.359 |
格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
残基 | 49.679 - 2.400 |
R因子 | 0.1886 |
Rwork | 0.187 |
R-free | 0.22260 |
Structure solution method | SAD |
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] | 0.961 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 50.000 | 2.490 |
分解能 [Å] (高) | 2.400 | 2.400 |
Rmerge_l_obs | 0.100 | 0.698 |
独立反射数 | 21408 | |
<I/σ(I)> | 35 | 3.5 |
完全性 [%] | 98.3 | 100 |
冗長性 | 14 | 14.4 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.2 M potassium thiocyanate, 0.1 M Bis-Tris propane, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |