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 |