3LJP
Crystal structure of choline oxidase V464A mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-06-10 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.8 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 87.040, 87.040, 353.067 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.520 - 2.200 |
| R-factor | 0.16797 |
| Rwork | 0.165 |
| R-free | 0.22673 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jbv |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.086 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.134 | 0.838 |
| Number of reflections | 67756 | |
| <I/σ(I)> | 12.31 | 5.51 |
| Completeness [%] | 96.0 | 99.5 |
| Redundancy | 6.1 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 10-15% PEG 6000, 50-200mM magnesium acetate, 200mM trimethylamine, 0.08M sodium cacodilate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
