3F98
Crystal structure of human plasma platelet activating factor acetylhydrolase covalently inhibited by tabun
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-08-12 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0055 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 76.984, 133.322, 253.855 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.700 |
R-factor | 0.18008 |
Rwork | 0.179 |
R-free | 0.20165 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | NATIVE STRUCTURE PDB ENTRY 3D59 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.349 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP (OF CCP4I) |
Refinement software | REFMAC (OF CCP4I FOR REFINEMENT) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.070 | 0.435 |
Number of reflections | 141507 | |
<I/σ(I)> | 35.025 | 5.59 |
Completeness [%] | 98.8 | 97.8 |
Redundancy | 10 | 10.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | PH 7.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K, temperature 293.0K |