2HML
Crystal Structure of the Naphthalene 1,2-Dioxygenase F352V Mutant Bound to Phenanthrene.
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 | 139.865, 139.865, 208.431 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 17.970 - 1.800 |
R-factor | 0.165 |
Rwork | 0.164 |
R-free | 0.19000 |
Structure solution method | RIGID BODY REFINEMENT |
Starting model (for MR) | 1o7h |
RMSD bond length | 0.010 |
RMSD bond angle | 1.322 |
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] | 17.970 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.108 | 0.464 |
Total number of observations | 33610 | |
Number of reflections | 72381 | |
<I/σ(I)> | 9.4 | 3.1 |
Completeness [%] | 99.9 | 100 |
Redundancy | 4.66 | 4.64 |
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 |