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 |