3AJ3
Crystal structure of selenomethionine substituted 4-pyridoxolactonase from Mesorhizobium loti
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL38B1 |
Synchrotron site | SPring-8 |
Beamline | BL38B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-04-26 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9792 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 82.777, 39.214, 84.191 |
Unit cell angles | 90.00, 117.92, 90.00 |
Refinement procedure
Resolution | 28.989 - 1.577 |
R-factor | 0.164 |
Rwork | 0.163 |
R-free | 0.19000 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.095 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | RESOLVE |
Refinement software | PHENIX (1.5_2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.990 | 1.640 |
High resolution limit [Å] | 1.577 | 1.577 |
Rmerge | 0.051 | 0.284 |
Number of reflections | 32428 | |
<I/σ(I)> | 22.6 | 7.9 |
Completeness [%] | 97.8 | 93 |
Redundancy | 6.7 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 30% PEG4000, 0.15M ammonium acetate, 0.1M sodium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 277K |