5JAP
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 | 2011-06-07 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 99.927, 90.661, 51.303 |
Unit cell angles | 90.00, 111.55, 90.00 |
Refinement procedure
Resolution | 44.240 - 2.460 |
R-factor | 0.177 |
Rwork | 0.173 |
R-free | 0.24600 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.080 |
Data reduction software | d*TREK |
Data scaling software | SCALA |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 44.240 |
High resolution limit [Å] | 2.460 |
Number of reflections | 15287 |
<I/σ(I)> | 9 |
Completeness [%] | 98.5 |
Redundancy | 2.8 |
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 |