2WJ4
CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) FROM ARTHROBACTER NITROGUAJACOLICUS RU61A ANAEROBICALLY COMPLEXED WITH ITS NATURAL SUBSTRATE 1-H-3-HYDROXY-4-OXOQUINALDINE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-09-14 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.810, 167.200, 167.220 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.840 - 2.100 |
R-factor | 0.17746 |
Rwork | 0.176 |
R-free | 0.20395 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.019 |
RMSD bond angle | 1.571 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.5.0070) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.400 | 2.210 |
High resolution limit [Å] | 2.000 | 2.100 |
Rmerge | 0.070 | 0.310 |
Number of reflections | 74241 | |
<I/σ(I)> | 18.5 | 5 |
Completeness [%] | 99.6 | 99.4 |
Redundancy | 6.1 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | PROTEIN AT 150 MG/ML IN STORAGE BUFFER 1.65M NA/K TARTRATE, 0.1M HEPES PH 7.0 |