6ZXX
Catabolic reductive dehalogenase NpRdhA, N-terminally tagged.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-10 |
| Detector | DECTRIS PILATUS3 R CdTe 300K |
| Wavelength(s) | 0.9159 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 180.182, 170.391, 107.957 |
| Unit cell angles | 90.00, 99.16, 90.00 |
Refinement procedure
| Resolution | 106.580 - 1.990 |
| R-factor | 0.18378 |
| Rwork | 0.182 |
| R-free | 0.21790 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6zxu |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.866 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 123.050 | 2.260 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmeas | 0.149 | 0.886 |
| Number of reflections | 102481 | 5124 |
| <I/σ(I)> | 7.3 | |
| Completeness [%] | 94.5 | 75.5 |
| Redundancy | 3.4 | 3.2 |
| CC(1/2) | 1.000 | 0.600 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M Bis-Tris propane (pH 8.5), 0.2 M sodium nitrate and 20% w/v PEG3350 |
