2HMK
Crystal Structure of Naphthalene 1,2-Dioxygenase Bound to Phenanthrene
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-09 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 139.947, 139.947, 208.464 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.510 - 1.650 |
| R-factor | 0.16 |
| Rwork | 0.158 |
| R-free | 0.18300 |
| Structure solution method | RIGID BODY REFINEMENT |
| Starting model (for MR) | 1o7h |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.342 |
| 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] | 39.510 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.065 | 0.306 |
| Total number of observations | 62473 | |
| Number of reflections | 93678 | |
| <I/σ(I)> | 13.3 | 4.5 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 7.12 | 6.63 |
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 |
