3ZV5
CRYSTAL STRUCTURE OF CIS-BIPHENYL-2,3-DIHYDRODIOL-2,3-DEHYDROGENASE (BPHB) FROM PANDORAEA PNOMENUSA STRAIN B-356 COMPLEX WITH CO-ENZYME NAD AND PRODUCT 2,3-DIHYDROXYBIPHENYL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 75.394, 75.394, 173.567 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.170 - 2.400 |
| R-factor | 0.21059 |
| Rwork | 0.208 |
| R-free | 0.26568 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bdb |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.776 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 69.170 |
| High resolution limit [Å] | 2.360 | 2.400 |
| Rmerge | 0.100 | 0.610 |
| Number of reflections | 20162 | |
| <I/σ(I)> | 19.32 | 2.29 |
| Completeness [%] | 95.0 | 99.4 |
| Redundancy | 12.1 | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SODIUM MALONATE, PEG3350 |
