4ORW
Three-dimensional structure of the C65A-K59A double mutant of Human lipocalin-type Prostaglandin D Synthase apo-form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-05 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.330, 57.630, 131.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.803 - 1.664 |
| R-factor | 0.2032 |
| Rwork | 0.201 |
| R-free | 0.23980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4orr |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.903 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.630 | 1.750 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.060 | 0.353 |
| Number of reflections | 34796 | |
| <I/σ(I)> | 13 | 3.7 |
| Completeness [%] | 99.1 | 99.4 |
| Redundancy | 4 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1M Tris, 2.0M Ammonium Sulphate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
