3F97
Crystal structure of human plasma platelet activating factor acetylhydrolase covalently inhibited by soman
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 116.084, 82.697, 96.692 |
| Unit cell angles | 90.00, 115.33, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.700 |
| R-factor | 0.18321 |
| Rwork | 0.182 |
| R-free | 0.21197 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NATIVE STRUCTURE PDB ENTRY 3D59 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.334 |
| 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 | 0.057 | 0.261 |
| Number of reflections | 87071 | |
| <I/σ(I)> | 19.97 | 2.36 |
| Completeness [%] | 96.4 | 73.1 |
| Redundancy | 3.7 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 293 | PH 6.6, pH 6.60, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
