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 |