3ALM
Crystal structure of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, mutant C294A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-05-01 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 109.897, 129.799, 88.969 |
Unit cell angles | 90.00, 122.18, 90.00 |
Refinement procedure
Resolution | 35.420 - 1.770 |
R-factor | 0.195 |
Rwork | 0.193 |
R-free | 0.22780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ALH |
RMSD bond length | 0.029 |
RMSD bond angle | 2.134 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.800 |
High resolution limit [Å] | 1.770 | 1.770 |
Rmerge | 0.079 | 0.380 |
Number of reflections | 101642 | |
<I/σ(I)> | 9.3 | |
Completeness [%] | 99.3 | 94.5 |
Redundancy | 3.7 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1M Tris-HCl pH 8.5, 8% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K |