6A41
Dehalogenation enzyme
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-04-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9795 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 67.895, 113.570, 141.926 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 70.960 - 1.970 |
| R-factor | 0.14755 |
| Rwork | 0.146 |
| R-free | 0.18317 |
| Structure solution method | SAD |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.208 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MoRDa |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.960 | 2.024 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Number of reflections | 18318 | |
| <I/σ(I)> | 50.6 | |
| Completeness [%] | 98.8 | |
| Redundancy | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2M Lithium Sulfate monohydrate, 0.1M Tris pH 8.5, 25% W/V Polyethylene Glycol 3350 |
