1KMY
Crystal Structure of 2,3-dihydroxybiphenyl 1,2-dioxygenase Complexed with 2,3-dihydroxybiphenyl under Anaerobic Condition
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 1995-11-21 |
Detector | RIGAKU RAXIS II |
Wavelength(s) | 1.5418 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 123.300, 123.300, 110.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 7.000 - 2.000 |
R-factor | 0.161 * |
Rwork | 0.163 |
R-free | 0.19600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1han |
RMSD bond length | 0.012 |
RMSD bond angle | 24.464 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.630 * | 0.229 |
Number of reflections | 28856 | |
<I/σ(I)> | 34.7 | 5 |
Completeness [%] | 99.3 | 95.2 |
Redundancy | 5.7 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 7.5 | 278 | PEG4000, t-butanol, 2,3-dihydroxybiphenyl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K |