5BMW
Crystal structure of T75V mutant of Triosephosphate isomerase from Plasmodium falciparum
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-04-10 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.541 |
| Spacegroup name | P 1 21 1 |
| 格子定数 [Å] | 39.210, 76.020, 74.360 |
| 格子定数 [度] | 90.00, 97.47, 90.00 |
精密化法
| 分解能 | 73.730 - 1.860 |
| R因子 | 0.134 |
| Rwork | 0.131 |
| R-free | 0.18240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o5x |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.019 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.802 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC (5.8.0103) |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 73.730 | 38.877 | 1.960 |
| 分解能 [Å] (高) | 1.859 | 5.880 | 1.860 |
| Rmerge_l_obs | 0.040 | 0.156 | |
| Rmeas | 0.061 | ||
| Rpim | 0.025 | 0.018 | 0.075 |
| Total number of observations | 203849 | 6796 | 27042 |
| 独立反射数 | 36392 | ||
| <I/σ(I)> | 22.2 | 33 | 9.8 |
| 完全性 [%] | 99.8 | 99.8 | 98.4 |
| 冗長性 | 5.6 | 5.6 | 5.2 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 296 | 20% PEG 1450, 100 mM MES buffer, 10 mM Calcium chloride, 0.5 mM EDTA, 0.5 mM DTT, 0.5 mM sodium azide |
