4RM1
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 | 2014-08-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97924 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.548, 125.004, 132.242 |
| Unit cell angles | 90.00, 99.62, 90.00 |
Refinement procedure
| Resolution | 45.117 - 1.990 |
| R-factor | 0.1705 |
| Rwork | 0.169 |
| R-free | 0.20290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.226 |
| 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 | 2.020 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Number of reflections | 151087 | |
| <I/σ(I)> | 6.9 | 2 |
| Completeness [%] | 98.8 | 99.1 |
| Redundancy | 2.7 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 18% PEG3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
