1FRO
HUMAN GLYOXALASE I WITH BENZYL-GLUTATHIONE INHIBITOR
Experimental procedure
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-02-20 |
| Detector | RIGAKU |
| Spacegroup name | P 43 |
| 格子定数 [Å] | 68.000, 68.000, 169.400 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 7.500 - 2.200 |
| R因子 | 0.211 |
| Rwork | 0.211 |
| R-free | 0.23400 |
| Structure solution method | MIR |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.009 |
| 結合角の平均二乗偏差(RMSD) [度] | 24.700 * |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 30.000 | 2.300 |
| 分解能 [Å] (高) | 2.200 | 2.200 |
| Rmerge_l_obs | 0.068 | 0.248 |
| Total number of observations | 118633 * | |
| 独立反射数 | 35503 | |
| <I/σ(I)> | 9 | 3 |
| 完全性 [%] | 91.3 | 79.1 * |
| 冗長性 | 3.3 | 2.5 |
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 * | pH 5.8 |
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) |
