1UUV
NAPHTHALENE 1,2-DIOXYGENASE WITH NITRIC OXIDE AND INDOLE BOUND IN THE ACTIVE SITE.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | H 3 2 |
Unit cell lengths | 139.600, 139.600, 209.303 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.000 - 1.650 |
Rwork | 0.184 |
R-free | 0.20400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1eg9 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.700 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.0.36) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.710 |
High resolution limit [Å] | 1.650 | 1.600 |
Rmerge | 0.060 | 0.195 |
Number of reflections | 92741 | |
<I/σ(I)> | 15.8 | |
Completeness [%] | 98.3 | 98 |
Redundancy | 5.1 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | AMMONIUM SULPHATE 2M, MES 0.1M, DIOXANE 2-3%, pH 6.00 |