1Q6Z
HIGH RESOLUTION STRUCTURE OF E28A MUTANT BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA COMPLEXED WITH THIAMIN THIAZOLONE DIPHOSPHATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-07-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.90000 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 81.371, 95.600, 136.881 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.000 |
| Rwork | 0.122 |
| R-free | 0.14020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bfd |
| RMSD bond length | 0.016 |
| RMSD bond angle | 0.028 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.030 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.053 | 0.336 |
| Number of reflections | 242762 | |
| <I/σ(I)> | 19 | |
| Completeness [%] | 89.3 | 40.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
