4MJW
Crystal Structure of Choline Oxidase in Complex with the Reaction Product Glycine Betaine
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 | CCD |
| Collection date | 2012-11-28 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 87.350, 87.350, 353.484 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.350 - 1.950 |
| R-factor | 0.1525 |
| Rwork | 0.151 |
| R-free | 0.18106 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jbv |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.335 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.350 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.098 | 0.428 |
| Number of reflections | 92704 | |
| <I/σ(I)> | 14.2 | 3 |
| Completeness [%] | 97.0 | 89.3 |
| Redundancy | 4.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | mixing 1 uL of choline oxidase (6.6 mg/mL) with 1 uL of reservoir solution containing 0.1 M magnesium acetate, pH 6.0, 50 mM calcium chloride, 2.5% v/v glycerol, and 10% w/v PEG 6000 (reservoir 500 uL), VAPOR DIFFUSION, HANGING DROP, temperature 298K |
