2Y99
Crystal Structure of cis-Biphenyl-2,3-dihydrodiol-2,3-dehydrogenase (BphB)from Pandoraea pnomenusa strain B-356 complex with co-enzyme NAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR-H |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-11-15 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 76.140, 76.140, 179.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.500 |
R-factor | 0.22003 |
Rwork | 0.217 |
R-free | 0.28631 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bdb |
RMSD bond length | 0.006 |
RMSD bond angle | 0.972 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 10.000 | 10.000 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.060 | 0.250 |
Number of reflections | 18429 | |
<I/σ(I)> | 6.7 | 2.4 |
Completeness [%] | 97.1 | 99.8 |
Redundancy | 3.7 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SODIUM MALONATE, PEG3350 |