5G3M
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 |
| Collection date | 2007-03-09 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 27.570, 85.122, 103.316 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.700 - 1.850 |
| R-factor | 0.20032 |
| Rwork | 0.199 |
| R-free | 0.23222 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.270 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 103.300 | 1.940 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.100 | 0.660 |
| Number of reflections | 21292 | |
| <I/σ(I)> | 12 | 2.5 |
| Completeness [%] | 96.0 | 77 |
| Redundancy | 5 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 40% PEG 400, 0.1 M BIS-TRIS PH 6.0 |
