5JMZ
Carbonic Anhydrase IX-mimic IN Complex WITH U-NO2
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-D |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2015-07-20 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| 格子定数 [Å] | 42.018, 41.410, 72.070 |
| 格子定数 [度] | 90.00, 103.72, 90.00 |
精密化法
| 残基 | 19.915 - 1.900 |
| R因子 | 0.1632 |
| Rwork | 0.162 |
| R-free | 0.19520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10pre_2097: ???)) |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 20.000 | 20.000 | 1.930 |
| 分解能 [Å] (高) | 1.900 | 5.130 | 1.900 |
| Rmerge_l_obs | 0.058 | 0.051 | 0.198 |
| Rmeas | 0.069 | 0.062 | 0.236 |
| Rpim | 0.038 | 0.034 | 0.128 |
| Total number of observations | 61102 | ||
| 独立反射数 | 18546 | ||
| <I/σ(I)> | 18.3 | ||
| 完全性 [%] | 96.6 | 99.6 | 94.1 |
| 冗長性 | 3.3 | 3.1 | 3.2 |
| CC(1/2) | 0.983 | 0.932 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.6 M Na-Citrate, 50 mM Tris, pH 7.8 |
