6GRR
Crystal structure of Escherichia coli amine oxidase mutant I342F/E573Q
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 135.152, 166.836, 79.734 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 105.050 - 1.700 |
| R-factor | 0.1673 |
| Rwork | 0.166 |
| R-free | 0.19326 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1dyu |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.446 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 105.050 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.036 | 0.785 |
| Rmeas | 0.040 | 0.875 |
| Rpim | 0.018 | 0.379 |
| Number of reflections | 196242 | 9515 |
| <I/σ(I)> | 21.4 | 2.4 |
| Completeness [%] | 99.2 | 97.06 |
| Redundancy | 5.1 | 5.1 |
| CC(1/2) | 1.000 | 0.873 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 100 mM HEPES, 1.2 M sodium citrate |
