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 |