3F9C
Crystal structure of human plasma platelet activating factor acetylhydrolase covalently inhibited by diisopropylfluorophosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-05-15 |
Detector | RIGAKU |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 116.375, 82.400, 96.511 |
Unit cell angles | 90.00, 115.64, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.300 |
R-factor | 0.19919 |
Rwork | 0.196 |
R-free | 0.26109 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | NATIVE STRUCTURE PDB ENTRY 3D59 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.813 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP (OF CCP4I) |
Refinement software | REFMAC (OF CCP4I FOR FINAL REFINEMENT) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.069 | 0.440 |
Number of reflections | 36675 | |
<I/σ(I)> | 20.71 | 3.23 |
Completeness [%] | 100.0 | 100 |
Redundancy | 4.2 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 293 | PH 6.6. NATIVE PROTEIN CRYSTAL SOAKED IN MOTHER LIQUOR CONTAINING DFP, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |