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 |