1UUW
NAPHTHALENE 1,2-DIOXYGENASE WITH NITRIC OXIDE BOUND IN THE ACTIVE SITE.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | H 3 2 |
Unit cell lengths | 140.556, 140.556, 210.288 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.300 |
Rwork | 0.198 |
R-free | 0.19400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1eg9 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.434 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.0.36) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.071 | 0.215 |
Number of reflections | 32084 | |
<I/σ(I)> | 7.6 | 3.2 |
Completeness [%] | 92.7 | 95 |
Redundancy | 5.4 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | AMMONIUM SULPHATE 2M, MES, 0.1M, DIOXANE 2-3%, pH 6.00 |