4KEQ
Crystal structure of 4-pyridoxolactonase, 5-pyridoxolactone 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 |
| Wavelength(s) | 0.9000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 84.426, 39.576, 84.660 |
| Unit cell angles | 90.00, 117.73, 90.00 |
Refinement procedure
| Resolution | 36.182 - 2.279 |
| R-factor | 0.1909 |
| Rwork | 0.188 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3AJ0 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.071 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.320 |
| High resolution limit [Å] | 2.279 | 2.280 |
| Rmerge | 0.078 | 0.228 |
| Number of reflections | 11493 | |
| <I/σ(I)> | 30.3 | 12.7 |
| Completeness [%] | 99.6 | 98.8 |
| Redundancy | 4.2 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 20% PEG3350, 0.05M ammonium citrate, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
