5DGD
Benzoylformate decarboxylase F464I and A460V mutant from Pseudomonas putida
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-10-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9002 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 81.500, 95.656, 137.345 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 17.652 - 1.130 |
| R-factor | 0.1417 |
| Rwork | 0.142 |
| R-free | 0.14960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bfd |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.470 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.170 |
| High resolution limit [Å] | 1.130 | 1.130 |
| Rmerge | 0.073 | 0.326 |
| Number of reflections | 192537 | |
| <I/σ(I)> | 17.29 | 6.8 |
| Completeness [%] | 96.6 | 99.6 |
| Redundancy | 6.5 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 24% (V/V) PEG 400, 0.15 M CACl2, 0.5% (V/V) MPD, 0.1 M TRISCL (PH 8.5) |
