3MPH
The structure of human diamine oxidase complexed with an inhibitor aminoguanidine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-11-25 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 92.685, 94.604, 196.051 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.130 - 2.050 |
R-factor | 0.1794 |
Rwork | 0.177 |
R-free | 0.21486 |
Structure solution method | BY REFINEMENT |
Starting model (for MR) | 3hi7 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.251 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Phasing software | REFMAC (5.5.0088) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.136 | 2.140 |
High resolution limit [Å] | 2.037 | 2.030 |
Rmerge | 0.135 | 0.490 |
Total number of observations | 48133 | |
Number of reflections | 106658 | |
<I/σ(I)> | 10.2 | 2.6 |
Completeness [%] | 95.6 | 77 |
Redundancy | 4.3 | 3.9 |
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 |