6D2E
Crystal structure of Corynebacterium diphtheriae UDP-galactopyranose mutase in complex with UDP-galactopyranose (open, oxidized)
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-01-03 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 41 21 2 |
| 格子定数 [Å] | 98.410, 98.410, 127.820 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 33.572 - 2.050 |
| R因子 | 0.1629 |
| Rwork | 0.161 |
| R-free | 0.19560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5br7 |
| 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] | 1.091 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 33.572 | 33.570 | 2.110 |
| 分解能 [Å] (高) | 2.050 | 8.450 | 2.050 |
| Rmerge_l_obs | 0.101 | 0.048 | 0.949 |
| Rmeas | 0.102 | 0.049 | 0.965 |
| Rpim | 0.019 | 0.010 | 0.177 |
| 独立反射数 | 75195 | 668 | 3399 |
| <I/σ(I)> | 22.4 | ||
| 完全性 [%] | 100.0 | 98.3 | 100 |
| 冗長性 | 29.3 | 23.4 | 29.6 |
| CC(1/2) | 0.999 | 0.999 | 0.921 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 100 mM Tris, 28% PEG400, 20% isopropanol |
