3D5E
Crystal structure of human plasma platelet activating factor acetylhydrolase covalently inhibited by paraoxon
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-03-17 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 117.213, 78.696, 97.340 |
Unit cell angles | 90.00, 101.61, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.100 |
R-factor | 0.207 |
Rwork | 0.204 |
R-free | 0.26100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | NATIVE STRUCTURE PDB ENTRY 3D59 |
RMSD bond length | 0.023 |
RMSD bond angle | 1.905 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP (OF CCP4I REFMAC5 OF CCP4I FOR FINAL REFINEMENT) |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.053 | 0.193 |
Number of reflections | 48162 | |
<I/σ(I)> | 19.59 | 3.43 |
Completeness [%] | 94.9 | 73.8 |
Redundancy | 3.4 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |