2HMM
Crystal Structure of Naphthalene 1,2-Dioxygenase Bound to Anthracene
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-11-03 |
| Detector | NOIR-1 |
| Wavelength(s) | 1.04021 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 139.725, 139.725, 208.113 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.970 - 1.600 |
| R-factor | 0.165 |
| Rwork | 0.164 |
| R-free | 0.19800 |
| Structure solution method | RIGID BODY REFINEMENT |
| Starting model (for MR) | 1o7h |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.422 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (9.4L) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.970 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.069 | 0.449 |
| Total number of observations | 29139 | |
| Number of reflections | 100884 | |
| <I/σ(I)> | 10 | 2.3 |
| Completeness [%] | 98.5 | 95.5 |
| Redundancy | 3.16 | 2.94 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 279.15 | 1.9-2.2 M Ammonium Sulfate, 4-6% Dioxane, 0.1 M MES, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 279.15K |
