4GPE
Crystal Structure of Benzoylformate Decarboxylase Mutant L403M
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 | 2012-08-03 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.03 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 81.655, 95.764, 137.390 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.882 - 1.390 |
| R-factor | 0.1322 |
| Rwork | 0.131 |
| R-free | 0.15290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bfd |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.830 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.440 |
| High resolution limit [Å] | 1.390 | 2.990 | 1.390 |
| Rmerge | 0.084 | 0.042 | 0.718 |
| Number of reflections | 107340 | ||
| <I/σ(I)> | 9 | ||
| Completeness [%] | 99.2 | 100 | 98.1 |
| Redundancy | 9.5 | 7.5 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 100 mM Tris pH 8.5, 22% v/v PEG 400, 150 mM CaCl2, 0.5% v/v MPD [2-METHYL-2,4-PENTANEDIOL], vapor diffusion, hanging drop, temperature 298K |
