4J4Z
Crystal structure of the improved variant of the evolved serine hydrolase, OSH55.4_H1.2, bond with sulfate ion in the active site, Northeast Structural Genomics Consortium (NESG) Target OR301
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-12-05 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 69.906, 66.771, 38.102 |
Unit cell angles | 90.00, 100.06, 90.00 |
Refinement procedure
Resolution | 33.386 - 1.260 |
R-factor | 0.17 |
Rwork | 0.169 |
R-free | 0.18100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.123 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | BALBES |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 47.930 |
High resolution limit [Å] | 1.260 |
Rmerge | 0.070 |
Number of reflections | 90701 |
<I/σ(I)> | 17.2 |
Completeness [%] | 99.2 |
Redundancy | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 277 | Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5) . Reservoir solution: ammonium sulfate 1M, HEPES 0.1M, PEG8000 0.5%, micro batch under oil, temperature 277K, VAPOR DIFFUSION |