5JAN
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 | 2010-06-28 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 100.373, 92.080, 48.273 |
Unit cell angles | 90.00, 112.60, 90.00 |
Refinement procedure
Resolution | 46.330 - 2.120 |
R-factor | 0.22519 |
Rwork | 0.223 |
R-free | 0.26693 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.425 |
Data reduction software | d*TREK |
Data scaling software | SCALA |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 46.330 |
High resolution limit [Å] | 2.120 |
Number of reflections | 21778 |
<I/σ(I)> | 7.5 |
Completeness [%] | 99.2 |
Redundancy | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 297 | 1.0M NaCl, 0.1M HEPES/NaOHpH=7.4, 28.8%w/v PEG 3350 |