6ZXU
Catabolic reductive dehalogenase NpRdhA, N-terminally tagged.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-25 |
| Detector | DECTRIS PILATUS3 R CdTe 300K |
| Wavelength(s) | 0.9763 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 175.110, 170.958, 107.873 |
| Unit cell angles | 90.00, 98.37, 90.00 |
Refinement procedure
| Resolution | 121.690 - 1.730 |
| R-factor | 0.16458 |
| Rwork | 0.163 |
| R-free | 0.19384 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ras |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.180 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 121.700 | 1.910 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmeas | 0.104 | 0.873 |
| Number of reflections | 201357 | 10067 |
| <I/σ(I)> | 8.7 | |
| Completeness [%] | 93.0 | 58 |
| Redundancy | 3.3 | 2.3 |
| CC(1/2) | 1.000 | 0.500 |
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 |
