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 |
