3NNE
Crystal structure of choline oxidase S101A mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2007-04-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0809 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.258, 346.029, 105.919 |
| Unit cell angles | 90.00, 94.33, 90.00 |
Refinement procedure
| Resolution | 29.990 - 2.470 |
| R-factor | 0.23117 |
| Rwork | 0.228 |
| R-free | 0.29254 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jbv |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.667 |
| 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 | 2.570 |
| High resolution limit [Å] | 2.470 | 2.480 |
| Rmerge | 0.111 | 0.258 |
| Number of reflections | 159203 | |
| <I/σ(I)> | 14 | |
| Completeness [%] | 90.4 | 50.3 |
| Redundancy | 6.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 80 mM Nacacodylate and 150 mM Mg-Acetate at pH 6, with 20% v/v PEG6000 and 20% v/v glycerol , VAPOR DIFFUSION, HANGING DROP, temperature 298K |
