2EHZ
Anaerobic Crystal Structure Analysis of 1,2-dihydroxynaphthalene dioxygenase from Pseudomonas sp. strain C18 complexed with 4-methylcatechol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-12-07 |
Detector | CUSTOM-MADE |
Wavelength(s) | 0.99 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 117.820, 117.820, 121.160 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.340 - 1.350 |
R-factor | 0.16572 |
Rwork | 0.165 |
R-free | 0.17767 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1han |
RMSD bond length | 0.007 |
RMSD bond angle | 1.119 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | |
High resolution limit [Å] | 1.350 | 1.350 |
Number of reflections | 79701 | |
Completeness [%] | 97.6 | 86.3 |
Redundancy | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294 | 1.8M NaCl, 0.1M MgCl2, 0.1M Hepes, anaerobic crystallization, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 294K |