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 |
