3HIG
Crystal structure of human diamine oxidase in complex with the inhibitor berenil
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-30 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.95663 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 92.662, 94.884, 196.411 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.460 - 2.090 |
| R-factor | 0.17052 |
| Rwork | 0.168 |
| R-free | 0.20983 |
| Structure solution method | BY REFINEMENT |
| Starting model (for MR) | 3hi7 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.389 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC (5.5.0063) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.139 | 0.610 |
| Number of reflections | 98904 | |
| <I/σ(I)> | 10.81 | 2.4 |
| Completeness [%] | 96.7 | 91.8 |
| Redundancy | 4.7 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1M bis-tris propane, 20%(w/v) PEG 3350, 0.2M sodium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
