6TKX
Carbohydrate esterase from gut microbiota
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-05-11 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 108.460, 108.460, 44.790 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.399 - 2.060 |
R-factor | 0.2086 |
Rwork | 0.205 |
R-free | 0.27020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hxk 4n5h 5ao9 2wtm 3bxp 3bjr 4v2i 2c7b 4e15 4q3k 3pfb 3zwq 5l2p 3qh4 5g5c 5jd4 4zi5 3f67 5cml 4wy8 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.156 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | Rosetta |
Refinement software | PHENIX ((1.14_3260: 000)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.399 | 2.100 |
High resolution limit [Å] | 2.060 | 2.060 |
Rmeas | 0.143 | 1.500 |
Number of reflections | 17093 | 838 |
<I/σ(I)> | 10 | |
Completeness [%] | 99.9 | |
Redundancy | 8.7 | |
CC(1/2) | 0.600 | 0.600 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 0.2 M Ammonium sulfate, 25% PEG MME 5000, 0.1 M mes pH 6.0 |