5JAT
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2011-09-28 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.060, 91.067, 51.442 |
| Unit cell angles | 90.00, 111.72, 90.00 |
Refinement procedure
| Resolution | 28.860 - 2.040 |
| R-factor | 0.142 |
| Rwork | 0.140 |
| R-free | 0.19900 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.000 |
| Data reduction software | d*TREK |
| Data scaling software | SCALA |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 28.860 |
| High resolution limit [Å] | 2.040 |
| Number of reflections | 26906 |
| <I/σ(I)> | 6.8 |
| Completeness [%] | 98.5 |
| Redundancy | 3.4 |
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 |
