6ZY1
Catabolic reductive dehalogenase NpRdhA, N-terminally tagged in complex with 3-bromo-4-hydroxybenzoic acid
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) | 0.92 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 175.871, 170.104, 107.651 |
| Unit cell angles | 90.00, 98.35, 90.00 |
Refinement procedure
| Resolution | 106.000 - 1.990 |
| Rwork | 0.177 |
| R-free | 0.21100 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6zxu |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 106.500 | 2.210 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmeas | 0.181 | 0.827 |
| Number of reflections | 112327 | 5617 |
| <I/σ(I)> | 6.8 | 1.7 |
| Completeness [%] | 94.0 | 78.5 |
| Redundancy | 3.5 | |
| CC(1/2) | 1.000 | 0.600 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1 M Bis-Tris propane (pH 8.5), 0.2 M sodium nitrate and 20% w/v PEG3350 |
