8DKY
Crystal structure of the Aquifex aeolicus Wzt Carbohydrate Binding Domain bound to 3-O-methyl-D-mannose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.561, 58.169, 95.316 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.640 - 1.610 |
R-factor | 0.2612 |
Rwork | 0.260 |
R-free | 0.28750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6o14 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 95.320 | 1.640 |
High resolution limit [Å] | 1.610 | 1.610 |
Rmerge | 0.087 | 0.782 |
Rpim | 0.037 | 0.355 |
Number of reflections | 41212 | 1844 |
<I/σ(I)> | 12 | 2 |
Completeness [%] | 99.3 | 91.7 |
Redundancy | 6.8 | 5.6 |
CC(1/2) | 0.809 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.8 | 277 | 20% PEG 3350, 0.1M Tricine pH 8.8 |