4K9K
Crystal Structure of the His281Tyr mutant of Benzoylformate Decarboxylase from Pseudomonas putida
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-03 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.95 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 81.263, 95.484, 136.814 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.946 - 1.301 |
| R-factor | 0.1396 |
| Rwork | 0.139 |
| R-free | 0.15380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bfd |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.043 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.946 | 1.350 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.074 | |
| Number of reflections | 125725 | |
| <I/σ(I)> | 3.3 | |
| Completeness [%] | 96.9 | 78.4 |
| Redundancy | 13.8 | 8.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 22% PEG400, 150 mM calcium chloride, 100 mM Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
