3S8Y
Bromide soaked structure of an esterase from the oil-degrading bacterium Oleispira antarctica
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 | 2011-04-15 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 44.532, 84.451, 88.051 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.690 - 2.100 |
| R-factor | 0.1557 |
| Rwork | 0.154 |
| R-free | 0.18470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3i6y |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.043 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.730 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.090 | 0.300 |
| Number of reflections | 19720 | |
| <I/σ(I)> | 17 | 6.3 |
| Completeness [%] | 98.6 | 97 |
| Redundancy | 6.2 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 293 | 0.4M Di-Ammonium citrate, 22% PEG3350, Soaking step: KBr 0.8M, 30s. , pH 4.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
