4PWW
Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR494.
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 | 2014-03-14 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97907 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 33.548, 69.645, 73.138 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.569 - 1.471 |
| R-factor | 0.181 |
| Rwork | 0.179 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ky3 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.936 |
| 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 | 1.520 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Rmerge | 0.055 | 0.403 |
| Number of reflections | 27476 | |
| <I/σ(I)> | 33.25 | 4.2 |
| Completeness [%] | 97.5 | 91.2 |
| Redundancy | 4.5 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microbatch crystallization under oil | 3.5 | 291 | Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5). Reservoir solution: 2.0M ammonium sulfate, 0.1M citric acid, pH 3.5, Microbatch crystallization under oil, temperature 291K |
