5LYY
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 | IMAGE PLATE |
| Collection date | 2010-09-17 |
| Detector | RIGAKU RAXIS II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.924, 91.157, 51.333 |
| Unit cell angles | 90.00, 111.88, 90.00 |
Refinement procedure
| Resolution | 34.380 - 2.170 |
| R-factor | 0.17971 |
| Rwork | 0.177 |
| R-free | 0.22523 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.432 |
| 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] | 34.380 | 2.310 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.062 | 0.459 |
| Number of reflections | 22495 | |
| <I/σ(I)> | 10.3 | 1.9 |
| Completeness [%] | 98.2 | 99.7 |
| Redundancy | 2.3 |
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 |
