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 |
