3DT9
Crystal Structure of Bovin Brain Platelet Activating Factor Acetylhydrolase Covalently Inhibited by Soman
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-09-05 |
| Detector | RIGAKU |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 81.356, 81.356, 72.969 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 1.850 |
| R-factor | 0.2112 |
| Rwork | 0.210 |
| R-free | 0.22831 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wab |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.268 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (OF CCP4I FOR FINAL REFINEMENT) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.530 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.079 | 0.451 |
| Number of reflections | 23397 | |
| <I/σ(I)> | 23.44 | 2.51 |
| Completeness [%] | 96.6 | 88.9 |
| Redundancy | 6.5 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | Ammonium sulfate, Sodium acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
