4RIZ
The crystal structure of Y333Q 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 | 2012-10-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97924 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.411, 124.659, 131.849 |
| Unit cell angles | 90.00, 99.42, 90.00 |
Refinement procedure
| Resolution | 39.582 - 2.200 |
| R-factor | 0.1595 |
| Rwork | 0.157 |
| R-free | 0.19870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rit |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.845 |
| 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 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 112112 | |
| <I/σ(I)> | 6.6 | 2.5 |
| Completeness [%] | 99.7 | 99.3 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 20% PEG1000, 0.1M TRis:HCL, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
