3I6Y
Structure of an esterase from the oil-degrading bacterium Oleispira antarctica
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-02-23 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.845, 88.179, 84.104 |
| Unit cell angles | 90.00, 94.75, 90.00 |
Refinement procedure
| Resolution | 27.940 - 1.750 |
| R-factor | 0.19053 |
| Rwork | 0.188 |
| R-free | 0.22898 |
| Structure solution method | PHASER |
| Starting model (for MR) | 1pv1 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.484 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.940 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.103 | 0.313 |
| Number of reflections | 61811 | |
| <I/σ(I)> | 16.338 | 5.8 |
| Completeness [%] | 86.9 | 64.8 |
| Redundancy | 3.8 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 294 | 0.2 M diammonium hydrogen citrate, 20% PEG 3350, Cryoprotected in Paratone-N oil, VAPOR DIFFUSION, SITTING DROP, temperature 294K, pH 5.0 |
