2EI1
Anaerobic Crystal Structure Analysis of the 1,2-dihydroxynaphthalene dioxygeanse of Pseudomonas sp. strain C18 complexes to 1,2-dihydroxynaphthalene
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 | 117.848, 117.848, 120.965 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.520 |
| R-factor | 0.17191 |
| Rwork | 0.171 |
| R-free | 0.17994 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1han |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.251 |
| 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] | 1.520 | 1.520 |
| Number of reflections | 64402 | |
| Completeness [%] | 99.3 | 93.7 |
| Redundancy | 13.7 |
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 |
