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 |