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 |
