6WED
Copper-bound E44Q variant of Campylobacter jejuni P19
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-10-22 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 55.347, 73.336, 78.957 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.506 - 1.900 |
R-factor | 0.1776 |
Rwork | 0.174 |
R-free | 0.22180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lzl |
Data reduction software | DENZO |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
Rmerge | 0.086 | 0.042 | 0.515 |
Rmeas | 0.093 | 0.046 | 0.598 |
Rpim | 0.035 | 0.018 | 0.294 |
Total number of observations | 173279 | ||
Number of reflections | 25790 | 1431 | 1138 |
<I/σ(I)> | 8 | ||
Completeness [%] | 99.2 | 99.1 | 88.8 |
Redundancy | 6.7 | 6.6 | 3.5 |
CC(1/2) | 0.999 | 0.850 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1 M BisTris pH 6.5, 20% PEG 550, and 40 mM CaCl2 dihydrate |