5G3N
Discovery of a novel secreted phospholipase A2 (sPLA2) inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-13 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.100, 66.530, 73.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.560 - 1.800 |
| R-factor | 0.1966 |
| Rwork | 0.195 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.080 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.600 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.106 | 0.516 |
| Number of reflections | 23401 | |
| <I/σ(I)> | 6.3 | 1.9 |
| Completeness [%] | 96.8 | 95.8 |
| Redundancy | 2.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 3.0-3.5M SODIUM FORMATE AND 100MM HEPES PH 7.5 |
