5ZNI
Plasmodium falciparum purine nucleoside phosphorylase in complex with mefloquine
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-07-21 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.000 |
| Spacegroup name | H 3 2 |
| 格子定数 [Å] | 95.591, 95.591, 136.571 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 残基 | 25.940 - 2.300 |
| R因子 | 0.1827 |
| Rwork | 0.179 |
| R-free | 0.24590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sq6 |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.014 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.746 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 25.940 | 25.940 | 2.380 |
| 分解能 [Å] (高) | 2.300 | 8.910 | 2.300 |
| Rmerge_l_obs | 0.049 | 0.025 | 0.090 |
| Rmeas | 0.054 | 0.029 | 0.100 |
| Rpim | 0.023 | 0.014 | 0.042 |
| Total number of observations | 59291 | 692 | 5949 |
| 独立反射数 | 10842 | 174 | 1065 |
| <I/σ(I)> | 21.6 | 29.5 | 10.5 |
| 完全性 [%] | 99.6 | 83.1 | 100 |
| 冗長性 | 5.5 | 4 | 5.6 |
| CC(1/2) | 0.998 | 0.998 | 0.997 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M magnesium formate |
