1BZL
CRYSTAL STRUCTURE OF TRYPANOSOMA CRUZI TRYPANOTHIONE REDUCTASE IN COMPLEX WITH TRYPANOTHIONE, AND THE STRUCTURE-BASED DISCOVERY OF NEW NATURAL PRODUCT INHIBITORS
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 273 |
| Detector technology | IMAGE PLATE |
| Collection date | 1991-03-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 43 |
| 格子定数 [Å] | 93.330, 93.330, 157.140 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 分解能 | 8.000 - 2.400 |
| R因子 | 0.209 * |
| Rwork | 0.209 |
| Starting model (for MR) | 1tyt |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.010 |
| 結合角の平均二乗偏差(RMSD) [度] | 2.200 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.1) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 20.000 | 2.530 |
| 分解能 [Å] (高) | 2.400 | 2.400 |
| Rmerge_l_obs | 0.750 | |
| Total number of observations | 142903 * | |
| 独立反射数 | 45818 | |
| <I/σ(I)> | 6 | 2.5 |
| 完全性 [%] | 87.4 | 86 |
| 冗長性 | 3 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | other * | 6 | Zhang, Y., (1993) J. Mol. Biol., 233, 1217. * |
結晶化試薬
| ID | 結晶ID | 濃度 | 試薬名 | 濃度 (単位) | 詳細 |
| 1 | 1 | 1 | MALEIC BUFFER | ||
| 2 | 1 | 1 | PEG 4000 | ||
| 3 | 1 | 2 | PEG 4000 |
