7AVR
The tetrameric structure of haloalkane dehalogenase DpaA from Paraglaciecola agarilytica NO2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-09-13 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 117.385, 155.506, 155.611 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.440 - 2.000 |
| R-factor | 0.17798 |
| Rwork | 0.176 |
| R-free | 0.20586 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xt0 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.769 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.440 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmeas | 0.018 | 0.016 |
| Number of reflections | 191831 | 59344 |
| <I/σ(I)> | 7.9 | 1.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 1.79 | |
| CC(1/2) | 0.998 | 0.601 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.1 M Na HEPES, 4% w/v PEG 400, 2 M (NH4)2SO4 |
