1QIN
HUMAN GLYOXALASE I COMPLEXED WITH S-(N-HYDROXY-N-P-IODOPHENYLCARBAMOYL) GLUTATHIONE
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 263 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-11-03 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | P 1 21 1 |
| 格子定数 [Å] | 52.700, 54.500, 78.900 |
| 格子定数 [度] | 90.00, 98.20, 90.00 |
精密化法
| 残基 | 29.000 - 2.000 |
| R因子 | 0.18 |
| Rwork | 0.178 |
| R-free | 0.21000 |
| Structure solution method | OTHER |
| 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 | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Refinement software | REFMAC |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 29.000 | 2.110 |
| 分解能 [Å] (高) | 2.000 | 2.000 |
| Rmerge_l_obs | 0.830 | 0.194 |
| Total number of observations | 49286 * | |
| 独立反射数 | 28148 | |
| <I/σ(I)> | 9 | 3.2 |
| 完全性 [%] | 93.6 | 93.5 |
| 冗長性 | 1.8 | 1.7 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | Vapor diffusion, hanging drop * | 5.8 | 15 * | Cameron, A.D., (1997) EMBO J., 16, 3386. * |
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 | drop | PEG2000 | 12.5-15 (%(w/v)) | |
| 2 | 1 | drop | MES | 25 (mM) | |
| 3 | 1 | drop | 0.05 (M) | ||
| 4 | 1 | drop | protein | 6 (mg/ml) | |
| 5 | 1 | drop | 2-mercaptoethanol | 0.5 (%) | |
| 6 | 1 | drop | S-benzyl-glutathione | 1 (mM) | |
| 7 | 1 | reservoir | PEG2000 | 25-30 (%(w/v)) | |
| 8 | 1 | reservoir | MES | 50 (mM) | |
| 9 | 1 | reservoir | 0.1 (M) |
