1QH3
HUMAN GLYOXALASE II WITH CACODYLATE AND ACETATE IONS PRESENT IN THE ACTIVE SITE
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-11-01 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 39.080, 72.370, 162.060 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 15.000 - 1.900 |
| R因子 | 0.185 |
| Rwork | 0.184 |
| R-free | 0.23900 |
| Structure solution method | SIRAS |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.007 |
| 結合角の平均二乗偏差(RMSD) [度] | 0.023 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | REFMAC |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 15.000 | 1.930 |
| 分解能 [Å] (高) | 1.900 | 1.900 |
| Rmerge_l_obs | 0.063 | 0.312 * |
| Total number of observations | 126060 * | |
| 独立反射数 | 36838 * | |
| <I/σ(I)> | 14 | 4 |
| 完全性 [%] | 99.0 | 99 |
| 冗長性 | 3.4 | 2.7 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | Vapor diffusion, hanging drop * | 7.1 * | EQUILABRATION AGAINST 15-30% W/V PEG 2000 MONOMETHYL ETHER 0.2M MG-ACETATE, 0.1M NA-CACODYLATE PH 6.5 AND 2MM DTT |
文献の結晶化試薬
| ID | 結晶ID | 溶液 | 試薬名 | 濃度 (単位) (単位) | 詳細 |
| 1 | 1 | reservoir | mPEG2000 | 15-30 (%(w/v)) | |
| 2 | 1 | reservoir | magnesium acetate | 0.2 (M) | |
| 3 | 1 | reservoir | sodium cacodylate | 0.1 (M) | |
| 4 | 1 | reservoir | dithiothreitol | 2 (mM) | |
| 5 | 1 | drop | protain | 10 (mg/ml) | |
| 6 | 1 | drop | MOPS | 10 (mM) | |
| 7 | 1 | drop | 10 (mM) | ||
| 8 | 1 | drop | PEG400 | 25 (%) |
