3KU4
Trapping of an oxocarbenium ion intermediate in UP crystals
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-02-18 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97920 |
Spacegroup name | P 41 |
格子定数 [Å] | 74.108, 74.108, 266.932 |
格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
残基 | 50.000 - 2.099 |
R因子 | 0.181 |
Rwork | 0.179 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
結合長の平均二乗偏差(RMSD) [Å] | 0.008 |
結合角の平均二乗偏差(RMSD) [度] | 1.141 |
Phasing software | CNS |
Refinement software | PHENIX |
Quality characteristics
Overall | |
分解能 [Å] (低) | 50.000 |
分解能 [Å] (高) | 2.099 |
独立反射数 | 78314 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 295 | 18% PEG5K MME, 140 mM MgCl2, 100 mM MES, pH 6.3, vapor diffusion, hanging drop, temperature 295K |