8ORO
CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) S101A VARIANT COMPLEXED WITH 2-METHYL-QUINOLIN-4(1H)-ONE UNDER HYPEROXYC CONDITIONS
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-03-11 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97932 |
Spacegroup name | P 41 |
Unit cell lengths | 120.110, 120.110, 44.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 60.050 - 2.000 |
Rwork | 0.227 |
R-free | 0.26870 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.281 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.050 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.158 | 0.711 |
Rpim | 0.093 | 0.406 |
Number of reflections | 43233 | 3144 |
<I/σ(I)> | 5.8 | 1.8 |
Completeness [%] | 99.0 | 98.1 |
Redundancy | 4.5 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 293 | PROTEIN AT 150 MG/ML IN STORAGE BUFFER 1.65M NA/K TARTRATE, 0.1M HEPES PH 7.0 |