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 |