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 |
