4QEL
Crystal Structure of Benzoylformate Decarboxylase Mutant H70A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-19 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.03 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 80.978, 95.442, 137.197 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.291 - 1.432 |
| R-factor | 0.1305 |
| Rwork | 0.130 |
| R-free | 0.15760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.358 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.450 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.790 | |
| Number of reflections | 96048 | |
| <I/σ(I)> | 1.8 | |
| Completeness [%] | 98.5 | 97.5 |
| Redundancy | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 100 mM TRIS , 22% PEG400, 150 mM CaCl2, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
