5JJ8
Crystal Structure of the Beta Carbonic Anhydrase psCA3 isolated from Pseudomonas aeruginosa - alternate crystal packing form
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-03-25 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9177 |
| Spacegroup name | P 2 21 21 |
| 格子定数 [Å] | 88.429, 69.362, 77.660 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 35.553 - 2.585 |
| R因子 | 0.2148 |
| Rwork | 0.212 |
| R-free | 0.27510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rxy |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.009 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.243 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (dev_1839) |
Quality characteristics
| Overall | |
| 分解能 [Å] (低) | 35.553 |
| 分解能 [Å] (高) | 2.585 |
| 独立反射数 | 14191 |
| <I/σ(I)> | 17.3 |
| 完全性 [%] | 91.5 |
| 冗長性 | 3.2 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | Hampton Research Crystal Screen 2, PEG/Ion, PEG/Ion 2, an in-house sodium citrate screen (screening conditions varied from 1.1 to 1.8 M sodium citrate, Tris-HCl pH 7.1-8.1), and an in-house ammonium sulfate screen (screening conditions varied from 1.8 M to 2.8 M ammonium sulfate, 0.1 M malic acid, 0.1 M imidazole pH 7.0-8.5) prepared by the Rigaku Alchemist DT were used to screen for optimum crystallization conditions. |
