3GMC
Crystal Structure of 2-Methyl-3-hydroxypyridine-5-carboxylic acid Oxygenase with substrate bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97950 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 110.490, 129.540, 89.100 |
| Unit cell angles | 90.00, 122.60, 90.00 |
Refinement procedure
| Resolution | 49.040 - 2.100 |
| R-factor | 0.188 |
| Rwork | 0.188 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
| Rmerge | 0.094 | 0.056 | 0.213 |
| Number of reflections | 58150 | ||
| <I/σ(I)> | 12.6 | ||
| Completeness [%] | 94.4 | 99.6 | 74.2 |
| Redundancy | 3.6 | 3.7 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 295 | 6-9% PEG8000, 100 mM Tris, 10 mM soak with MHPC, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
