2HMJ
Crystal Structure of the Naphthalene 1,2-Dioxygenase Phe-352-Val Mutant.
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 | 139.894, 139.894, 208.580 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 15.990 - 1.500 |
R-factor | 0.157 |
Rwork | 0.155 |
R-free | 0.18600 |
Structure solution method | RIGID BODY REFINEMENT |
Starting model (for MR) | 1o7h |
RMSD bond length | 0.012 |
RMSD bond angle | 1.418 |
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] | 15.990 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.078 | 0.518 |
Total number of observations | 33775 | |
Number of reflections | 123779 | |
<I/σ(I)> | 9.6 | 2 |
Completeness [%] | 99.2 | 94.4 |
Redundancy | 4.38 | 2.88 |
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, VAPOR DIFFUSION, HANGING DROP, temperature 279.15K |