5LZ4
Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-15 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.935, 90.948, 51.340 |
| Unit cell angles | 90.00, 111.86, 90.00 |
Refinement procedure
| Resolution | 45.470 - 2.070 |
| R-factor | 0.16389 |
| Rwork | 0.161 |
| R-free | 0.21491 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.455 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.470 | 2.120 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.038 | 0.140 |
| Number of reflections | 26172 | |
| <I/σ(I)> | 17 | 6.8 |
| Completeness [%] | 96.2 | 90.3 |
| Redundancy | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | 28.0%w/v PEG 3350, 0.1M HEPES/NaOHpH=7.4, 1.3M NaCl |
