4JU8
Crystal Structure of the His70Phe 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 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 81.253, 95.563, 137.322 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.283 - 1.251 |
R-factor | 0.1353 |
Rwork | 0.135 |
R-free | 0.15640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bfd |
RMSD bond length | 0.005 |
RMSD bond angle | 1.146 |
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] | 41.283 | 1.290 |
High resolution limit [Å] | 1.251 | 1.251 |
Rmerge | 0.097 | 0.675 |
Number of reflections | 137974 | |
<I/σ(I)> | 17.9 | 1.3 |
Completeness [%] | 94.4 | 62 |
Redundancy | 9.4 | 2.5 |
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 |