5DGT
BENZOYLFORMATE DECARBOXYLASE H70A MUTANT at pH 8.5 FROM PSEUDOMONAS PUTIDA
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 | 2001-11-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.900 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 81.341, 94.802, 137.342 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.505 - 1.081 |
| R-factor | 0.1435 |
| Rwork | 0.143 |
| R-free | 0.15010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bfd |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.496 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.120 |
| High resolution limit [Å] | 1.080 | 1.080 |
| Rmerge | 0.400 | |
| Number of reflections | 213422 | |
| <I/σ(I)> | 12.2 | 3.28 |
| Completeness [%] | 94.9 | 92.6 |
| Redundancy | 4.7 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 22% (V/V) PEG400, 0.15 M CACl2, 0.5% (V/V), MPD, 0.1 M TRISCl (pH 8.5) |
