5LZ7
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 | 2011-06-12 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.623, 91.456, 51.413 |
| Unit cell angles | 90.00, 112.11, 90.00 |
Refinement procedure
| Resolution | 32.990 - 2.100 |
| R-factor | 0.18359 |
| Rwork | 0.180 |
| R-free | 0.24251 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.469 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | REFMAC (5.8.0135) |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.990 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.085 | 0.629 |
| Number of reflections | 25098 | |
| <I/σ(I)> | 10.8 | 2.2 |
| Completeness [%] | 98.1 | 91.2 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 28.0%w/v PEG 3350, 0.1M HEPES/NaOHpH=7.4, 1.3M NaCl |
