4K9Q
The Crystal Structure of Benzoylformate Decarboxylase from Polynucleobacter necessarius
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 | P 21 21 2 |
| Unit cell lengths | 67.737, 104.953, 158.731 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.824 - 1.598 |
| R-factor | 0.1626 |
| Rwork | 0.162 |
| R-free | 0.18860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bfd |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.128 |
| 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] | 49.824 | 1.660 |
| High resolution limit [Å] | 1.598 | 1.598 |
| Rmerge | 0.112 | 0.813 |
| Number of reflections | 133506 | |
| <I/σ(I)> | 14.4 | 1.2 |
| Completeness [%] | 95.0 | 67.7 |
| Redundancy | 6.5 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 1.8 M ammonium sulfate, 100 mM Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
