4JUA
Crystal Structure of the His70Ser 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 | 2012-08-04 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.95 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 81.348, 95.161, 137.065 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.187 - 1.150 |
| R-factor | 0.1319 |
| Rwork | 0.132 |
| R-free | 0.15030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bfd |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.158 |
| 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] | 41.487 | 1.190 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.072 | 0.459 |
| Number of reflections | 157037 | |
| <I/σ(I)> | 19.4 | 1.8 |
| Completeness [%] | 83.9 | 25.3 |
| Redundancy | 6.4 | 1.8 |
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 |
