4RJ0
The crystal structure of Y333N mutant pyridoxal-dependent decarboxylase from Sphaerobacter thermophilus dsm 20745
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-01-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97924 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 68.984, 124.198, 129.942 |
Unit cell angles | 90.00, 99.56, 90.00 |
Refinement procedure
Resolution | 32.558 - 1.950 |
R-factor | 0.1689 |
Rwork | 0.168 |
R-free | 0.19270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4rit |
RMSD bond length | 0.017 |
RMSD bond angle | 1.425 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MLPHARE |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.980 |
High resolution limit [Å] | 1.950 | 1.950 |
Number of reflections | 144197 | |
<I/σ(I)> | 8.1 | 2.3 |
Completeness [%] | 93.1 | 93 |
Redundancy | 3.1 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.04M KPO4, 16% PEG8k, 20% Glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |