4ETJ
Crystal Structure of E6H variant of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium (NESG) Target OR185
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4C |
Synchrotron site | NSLS |
Beamline | X4C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-21 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97925 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 65.930, 65.930, 89.260 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.958 - 2.203 |
R-factor | 0.1849 |
Rwork | 0.183 |
R-free | 0.22570 |
Structure solution method | MIR |
Starting model (for MR) | 3v45 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.085 |
Refinement software | PHENIX (dev_988) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.200 |
Rmerge | 0.090 |
Number of reflections | 19058 |
<I/σ(I)> | 57.6 |
Completeness [%] | 100.0 |
Redundancy | 14.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 293 | Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5), Reservoir solution: 0.1M MgCl2, 0.1M Bis-Tris, 80% PEG400, microbatch under oil, temperature 293KK |