3L24
Crystal Structure of the Nerve Agent Degrading Organophosphate Anhydrolase/Prolidase in Complex with Inhibitors
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-06-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0715, 1.8924, 1.8934, 1.8100 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 124.354, 143.934, 219.213 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.100 - 2.300 |
| R-factor | 0.239 |
| Rwork | 0.235 |
| R-free | 0.27300 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.100 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.093 | 0.500 |
| Number of reflections | 99490 | |
| <I/σ(I)> | 6.7 | 0.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 16% PEG 4000, 20mM MnCl2, 1mM beta-mercaptoethanol, 270 mM ammonium acetate and 60 mM sodium acetate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
