2HMN
Crystal Structure of the Naphthalene 1,2-Dioxygenase F352V Mutant 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 | 139.457, 139.457, 208.219 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 16.910 - 1.700 |
R-factor | 0.161 |
Rwork | 0.159 |
R-free | 0.19400 |
Structure solution method | RIGID BODY REFINEMENT |
Starting model (for MR) | 1o7h |
RMSD bond length | 0.012 |
RMSD bond angle | 1.381 |
Data reduction software | d*TREK |
Data scaling software | d*TREK (9.2LDz) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 16.910 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.072 | 0.481 |
Total number of observations | 46415 | |
Number of reflections | 85038 | |
<I/σ(I)> | 11.1 | 2.9 |
Completeness [%] | 99.7 | 100 |
Redundancy | 5.55 | 5.47 |
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 |