4I3F
Crystal structure of serine hydrolase CCSP0084 from the polyaromatic hydrocarbon (PAH)-degrading bacterium Cycloclasticus zankles
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-07-13 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 81.543, 49.691, 67.995 |
| Unit cell angles | 90.00, 105.89, 90.00 |
Refinement procedure
| Resolution | 19.606 - 1.690 |
| R-factor | 0.1484 |
| Rwork | 0.146 |
| R-free | 0.18660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cr6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.028 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.610 | 1.690 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Rmerge | 0.042 | 0.357 |
| Number of reflections | 31991 | |
| <I/σ(I)> | 13.4 | 2.6 |
| Completeness [%] | 93.5 | 79.1 |
| Redundancy | 4.1 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M HEPES pH 7.5, 0.2 M magnesium chloride, 25% PEG3350. , VAPOR DIFFUSION, SITTING DROP, temperature 298K |
