5HXI
2-Methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, 5HN bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-05-25 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9000 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 49.338, 131.140, 132.282 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.500 |
R-factor | 0.15207 |
Rwork | 0.151 |
R-free | 0.17402 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.191 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 93.130 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.063 | 0.379 |
Number of reflections | 68494 | |
<I/σ(I)> | 17.7 | |
Completeness [%] | 99.8 | 100 |
Redundancy | 6.6 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 8% PEG8000, 0.1M Tris-HCl pH 8.5 |