3ZV3
CRYSTAL STRUCTURE OF CIS-BIPHENYL-2,3-DIHYDRODIOL-2,3-DEHYDROGENASE (BPHB)FROM PANDORAEA PNOMENUSA STRAIN B-356 IN INTERMEDIATE STATE OF SUBSTRATE BINDING LOOP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-12-15 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 75.735, 75.735, 178.947 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.670 - 2.900 |
| R-factor | 0.26917 |
| Rwork | 0.268 |
| R-free | 0.29460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bdb |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.999 |
| 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] | 100.000 | 69.670 |
| High resolution limit [Å] | 2.800 | 2.900 |
| Rmerge | 0.150 | 0.850 |
| Number of reflections | 13445 | |
| <I/σ(I)> | 7.44 | 1.08 |
| Completeness [%] | 98.9 | 98.3 |
| Redundancy | 4.8 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SODIUM MALONATE, PEG3350 |
