3CMC
Thioacylenzyme intermediate of Bacillus stearothermophilus phosphorylating GAPDH
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, Hamburg |
Beamline | X13 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-02-20 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.806 |
Spacegroup name | P 1 21 1 |
格子定数 [Å] | 81.670, 122.630, 81.790 |
格子定数 [度] | 90.00, 111.12, 90.00 |
精密化法
残基 | 29.500 - 1.770 |
R因子 | 0.163 |
Rwork | 0.161 |
R-free | 0.19800 |
Structure solution method | MOLECULAR REPLACEMENT |
結合長の平均二乗偏差(RMSD) [Å] | 0.011 |
結合角の平均二乗偏差(RMSD) [度] | 1.266 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | TNT |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 29.500 | 1.880 |
分解能 [Å] (高) | 1.770 | 1.770 |
Rmerge_l_obs | 0.028 | 0.189 |
独立反射数 | 142733 | |
<I/σ(I)> | 32.1 | 6.5 |
完全性 [%] | 98.7 | 92.9 |
冗長性 | 3.7 | 3.2 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 293 | 2.7 M Ammonium Sulfate, 100 mM Tris-HCl buffer pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K |