1DMH
STRUCTURE OF CATECHOL 1,2-DIOXYGENASE FROM ACINETOBACTER SP. ADP1 WITH BOUND 4-METHYLCATECHOL
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | AREA DETECTOR |
Collection date | 1999-01-02 |
Detector | SIEMENS HI-STAR |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.800, 88.000, 84.400 |
Unit cell angles | 90.00, 96.30, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.800 * |
R-factor | 0.185 |
Rwork | 0.185 |
R-free | 0.21800 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.700 |
Data scaling software | X-GEN |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.750 |
High resolution limit [Å] | 1.700 | 1.680 |
Rmerge | 0.040 | 0.294 |
Number of reflections | 87127 * | |
<I/σ(I)> | 17.5 | |
Completeness [%] | 93.0 * | 60 * |
Redundancy | 2.5 | 1.48 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 4 * | 10-15% PEG5000, 100MM TRIS-HCL, PH 7.5, .2M MGACETATE, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 60 (mg/ml) | |
2 | 1 | reservoir | PEG5000 | 15 (%) | |
3 | 1 | reservoir | magnesium acetate | 200 (mM) | |
4 | 1 | reservoir | Tris-HCl | 100 (mM) |