3DT8
Crystal Structure of Bovin Brain Platelet Activating Factor Acetylhydrolase Covalently Inhibited by Sarin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-10-26 |
| Detector | RIGAKU |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 81.322, 81.322, 72.784 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 1.850 |
| R-factor | 0.20535 |
| Rwork | 0.204 |
| R-free | 0.23070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wab |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.443 |
| 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] | 70.360 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.051 | 0.577 |
| Number of reflections | 23181 | |
| <I/σ(I)> | 26.52 | 1.2 |
| Completeness [%] | 96.1 | 98.2 |
| Redundancy | 5.8 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | VAPOR DIFFUSION, HANGING DROP |
