1E5H
DELTA-R307A DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH SUCCINATE AND CARBON DIOXIDE
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-12-28 |
| Detector | MAR scanner 300 mm plate |
| Spacegroup name | H 3 |
| 格子定数 [Å] | 106.260, 106.260, 71.060 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 残基 | 16.570 - 1.960 |
| R因子 | 0.22 |
| Rwork | 0.220 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rxf |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.012 |
| 結合角の平均二乗偏差(RMSD) [度] | 22.700 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS (RIGID BODY REFINEMENT) |
| Refinement software | CNS (0.9) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 30.000 | 1.980 |
| 分解能 [Å] (高) | 1.960 | 1.950 |
| Rmerge_l_obs | 0.090 | 0.281 |
| Total number of observations | 128961 * | |
| 独立反射数 | 21766 | |
| <I/σ(I)> | 25.9 | 6.29 |
| 完全性 [%] | 99.8 | 99.6 |
| 冗長性 | 5.92 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | Vapor diffusion, hanging drop * | 7 | 20 * | Lloyd, M.D., (1999) J.Mol.Biol., 287, 943. * |
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 | HEPES-NaOH | 100 (mM) | |
| 2 | 1 | reservoir | potassium 2-oxoglutarate | 5 (mM) | |
| 3 | 1 | reservoir | ammonium sulfate | 1.6-1.7 (M) | |
| 4 | 1 | drop | HEPES-NaOH | 55 (mM) | |
| 5 | 1 | drop | potassium 2-oxoglutarate | 2.5 (mM) | |
| 6 | 1 | drop | ammonium sulfate | 0.8-0.85 (M) |
