1EG9
NAPHTHALENE 1,2-DIOXYGENASE WITH INDOLE BOUND IN THE ACTIVE SITE.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-12-05 |
| Detector | ADSC QUANTUM 4r |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 140.169, 140.169, 209.248 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.600 |
| R-factor | 0.193 |
| Rwork | 0.190 |
| R-free | 0.22000 |
| RMSD bond length | 0.014 * |
| RMSD bond angle | 1.400 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.072 | 0.307 |
| Total number of observations | 896312 * | |
| Number of reflections | 102843 * | |
| <I/σ(I)> | 11.3 | |
| Completeness [%] | 99.9 | 99 |
| Redundancy | 8.8 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 6 | 8 * | drop consists of equal volume of protein and reservoir solutions * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 30 (mg/ml) | |
| 2 | 1 | reservoir | ammonium sulfate | 2 (M) | |
| 3 | 1 | reservoir | dioxane | 2-3 (%) | |
| 4 | 1 | reservoir | MES | 50 (mM) |
