2Y93
Crystal Structure of cis-Biphenyl-2,3-dihydrodiol-2,3-dehydrogenase (BphB)from Pandoraea pnomenusa strain B-356.
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 | 2010-07-09 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 75.692, 75.692, 176.876 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 69.500 - 2.220 |
R-factor | 0.18248 |
Rwork | 0.181 |
R-free | 0.21889 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bdb |
RMSD bond length | 0.008 |
RMSD bond angle | 1.181 |
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] | 69.500 | 2.250 |
High resolution limit [Å] | 2.200 | 2.210 |
Rmerge | 0.110 | 0.390 |
Number of reflections | 26076 | |
<I/σ(I)> | 13.6 | 2.4 |
Completeness [%] | 97.0 | 40.6 |
Redundancy | 5.5 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 3-5 M SODIUM FORMATE |