2GBX
Crystal Structure of Biphenyl 2,3-Dioxygenase from Sphingomonas yanoikuyae B1 Bound to Biphenyl
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 133.940, 133.940, 219.708 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.480 - 2.800 |
R-factor | 0.238 |
Rwork | 0.237 |
R-free | 0.26800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gbw |
RMSD bond length | 0.005 |
RMSD bond angle | 0.671 |
Data scaling software | XSCALE |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.481 | 3.000 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.269 | |
Number of reflections | 56587 | |
<I/σ(I)> | 6.3 | |
Completeness [%] | 99.4 | 98.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.8 | 277.15 | 20% PEG3350, 1.0 M Sodium Chloride, 0.037M Zinc Chloride, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K, pH 6.80 |