3IBQ
Crystal structure of pyridoxal kinase from Lactobacillus plantarum in complex with ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-20 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 64.357, 69.576, 132.369 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.460 - 2.000 |
| R-factor | 0.17759 |
| Rwork | 0.175 |
| R-free | 0.21946 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h74 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.633 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.460 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.089 | 0.293 |
| Number of reflections | 19397 | |
| <I/σ(I)> | 9.9 | 6.6 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 11 | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.2M MgCl2, 0.1M HEPES pH 6.5, 25% PEG3350, 20mM ATP , VAPOR DIFFUSION, SITTING DROP, temperature 298K |
