4GVV
Crystal Structure of de novo design serine hydrolase OSH55.27, Northeast Structural Genomics Consortium (NESG) Target OR246
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-27 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.634, 30.030, 128.868 |
Unit cell angles | 90.00, 91.33, 90.00 |
Refinement procedure
Resolution | 29.630 - 2.895 |
R-factor | 0.191 |
Rwork | 0.186 |
R-free | 0.28500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ess |
RMSD bond length | 0.009 |
RMSD bond angle | 1.169 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | BALBES |
Refinement software | PHENIX (dev_988) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 29.630 |
High resolution limit [Å] | 2.900 |
Rmerge | 0.178 |
Number of reflections | 12812 |
<I/σ(I)> | 8.8 |
Completeness [%] | 100.0 |
Redundancy | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | Protein solution 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5), VAPOR DIFFUSION, HANGING DROP |