3KBR
The crystal structure of cyclohexadienyl dehydratase precursor from Pseudomonas aeruginosa PA01
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-08-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97948 |
| Spacegroup name | H 3 2 |
| 格子定数 [Å] | 126.390, 126.390, 88.981 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 残基 | 28.732 - 1.659 |
| R因子 | 0.1843 |
| Rwork | 0.183 |
| R-free | 0.21310 |
| Structure solution method | SAD |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.006 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.031 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 28.800 | 1.690 |
| 分解能 [Å] (高) | 1.659 | 1.660 |
| Rmerge_l_obs | 0.090 | 0.795 |
| 独立反射数 | 32048 | |
| <I/σ(I)> | 37.1 | 1.75 |
| 完全性 [%] | 99.1 | 93.9 |
| 冗長性 | 7.3 | 6.9 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.005M CoCl2 hexahydrate, 0.005M NiCl2 hexahydrate, 0.005M CaCl2 dihydrate, 0.005M MgCl2 hexahydrate, 0.1M HEPES, 12% w/v PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
