1LKD
CRYSTAL STRUCTURE OF 2,3-DIHYDROXYBIPHENYL 1,2-DIOXYGENASE (DHBD) COMPLEXED WITH 2',6'-DICL DIHYDROXYBIPHENYL (DHB)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-06-10 |
Detector | CUSTOM-MADE |
Wavelength(s) | 0.97833 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 122.640, 122.640, 107.232 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 * - 1.700 |
Rwork | 0.203 |
R-free | 0.23100 * |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.270 * |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.750 |
High resolution limit [Å] | 1.690 | 1.690 |
Rmerge | 0.086 | 0.409 |
Total number of observations | 2212442 * | |
Number of reflections | 46029 | |
Completeness [%] | 90.2 | 73.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 7.5 | 5-10 * | Han, S., (1995) Science, 270, 976. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG4000 | 18-22 (%) | |
2 | 1 | reservoir | t-butanol | 10-15 (%) |