4PQ8
Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR465
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 | 2014-02-26 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97908 |
Spacegroup name | P 43 |
Unit cell lengths | 72.914, 72.914, 51.326 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.970 - 1.833 |
R-factor | 0.155 |
Rwork | 0.154 |
R-free | 0.17600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3rfj |
RMSD bond length | 0.006 |
RMSD bond angle | 1.384 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | BALBES |
Refinement software | PHENIX (1.7.2_869) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.900 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.076 | 0.196 |
Number of reflections | 23751 | |
<I/σ(I)> | 48.6 | 10 |
Completeness [%] | 99.2 | 92 |
Redundancy | 13.8 | 10.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Microbatch crystallization under oil | 6 | 291 | Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5). Crystallization cocktail: 40% PEG 4000, 0.1M potassium phosphate monobasic, 0.1M MES, pH 6.0, Microbatch crystallization under oil, temperature 291K |