3HII
Crystal structure of human diamine oxidase in complex with the inhibitor pentamidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-11-05 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 92.455, 94.690, 196.279 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.840 - 2.149 |
| R-factor | 0.18359 |
| Rwork | 0.182 |
| R-free | 0.22093 |
| Structure solution method | BY REFINEMENT |
| Starting model (for MR) | 3hi7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.199 |
| 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 | 2.230 |
| High resolution limit [Å] | 2.149 | 2.149 |
| Rmerge | 0.103 | 0.336 |
| Number of reflections | 89751 | |
| <I/σ(I)> | 9.903 | 2.7 |
| Completeness [%] | 95.0 | 87.1 |
| Redundancy | 3 | 2.4 |
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 |
