3ALL
Crystal structure of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, mutant Y270A
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 2 2 21 |
| Unit cell lengths | 57.085, 284.981, 123.683 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.780 - 1.780 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.23040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ALH |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.206 |
| 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 | 1.810 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.079 | 0.391 |
| Number of reflections | 95547 | |
| <I/σ(I)> | 9.6 | |
| Completeness [%] | 98.5 | 96.6 |
| Redundancy | 7 | 7.1 |
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 |
