4JGK
Crystal Structure of the evolved variant of the computationally designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR275
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 | 2012-08-02 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97916 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.618, 30.155, 128.732 |
| Unit cell angles | 90.00, 90.87, 90.00 |
Refinement procedure
| Resolution | 49.650 - 1.883 |
| R-factor | 0.179 |
| Rwork | 0.177 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4etj |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.975 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | BALBES |
| Refinement software | PHENIX (dev_1269) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.883 |
| Rmerge | 0.069 |
| Number of reflections | 44664 |
| <I/σ(I)> | 49.1 |
| Completeness [%] | 92.2 |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | microbatch under oil | 7 | 277 | Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5) . Reservoir solution:DL-malic acid 0.15M, PEG 3350 20%, microbatch under oil, temperature 277K |
