7S3F
Structure of cofactor pyridoxal 5-phosphate bound human ornithine decarboxylase in complex with its inhibitor 1-amino-oxy-3-aminopropane
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2021-04-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.1272 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 75.040, 86.900, 154.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.539 - 2.490 |
R-factor | 0.1817 |
Rwork | 0.180 |
R-free | 0.20840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oo0 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.801 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.000 | 2.550 |
High resolution limit [Å] | 2.490 | 2.490 |
Number of reflections | 35957 | 2583 |
<I/σ(I)> | 11.6 | |
Completeness [%] | 99.7 | |
Redundancy | 5.2 | |
CC(1/2) | 0.990 | 0.300 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 2% tacsimate, 0.1 M sodium citrate tribasic dihydrate pH 5.6, and 16% w/v polyethylene glycol 3350 |