5JAH
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 | 2010-08-09 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54187 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 100.030, 91.309, 51.316 |
Unit cell angles | 90.00, 112.00, 90.00 |
Refinement procedure
Resolution | 28.920 - 2.060 |
R-factor | 0.177 |
Rwork | 0.175 |
R-free | 0.22200 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.010 |
Data reduction software | d*TREK |
Data scaling software | SCALA |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 48.000 |
High resolution limit [Å] | 2.060 |
Number of reflections | 25998 |
<I/σ(I)> | 11.8 |
Completeness [%] | 98.2 |
Redundancy | 3.56 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 297 | 1.4M NaCl, 28.0%w/v PEG 3350, 0.1M HEPES/NaOHpH=7.4 |