2PZY
Structure of MK2 Complexed with Compound 76
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-03-08 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 63 |
格子定数 [Å] | 159.610, 159.610, 134.500 |
格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
残基 | 34.320 - 2.900 |
Rwork | 0.251 |
R-free | 0.31300 |
Structure solution method | MOLECULAR REPLACEMENT |
結合長の平均二乗偏差(RMSD) [Å] | 0.009 |
結合角の平均二乗偏差(RMSD) [度] | 1.154 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | AMoRE |
Refinement software | CNS |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 34.320 | 3.000 |
分解能 [Å] (高) | 2.900 | 2.900 |
Rmerge_l_obs | 0.109 | 0.482 |
Total number of observations | 10846 | |
独立反射数 | 42263 | |
<I/σ(I)> | 8.2 | 1.8 |
完全性 [%] | 98.0 | 94.7 |
冗長性 | 3 | 2.68 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 297 | 100 mM HEPES pH 7.5, 1.85 M AMMONIUM SULFATE, vapor diffusion, hanging drop, temperature 297K |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 297 | 100 mM HEPES pH 7.5, 1.85 M AMMONIUM SULFATE, vapor diffusion, hanging drop, temperature 297K |