6NWZ
Crystal structure of Agd3 a novel carbohydrate deacetylase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.28308 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 77.970, 77.970, 640.310 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.865 - 2.600 |
R-factor | 0.1923 |
Rwork | 0.190 |
R-free | 0.24230 |
Structure solution method | SAD |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.21) |
Phasing software | SHELX |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.870 | 2.694 |
High resolution limit [Å] | 2.590 | 2.590 |
Rmerge | 0.025 | 0.364 |
Rmeas | 0.035 | 0.364 |
Rpim | 0.025 | 0.257 |
Number of reflections | 37314 | 487 |
<I/σ(I)> | 17.91 | |
Completeness [%] | 86.1 | 13.57 |
Redundancy | 2 | |
CC(1/2) | 0.999 | 0.968 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1.7 % (w/v) PEG 400, 15 % (v/v) glycerol, 1.7 M ammonium sulfate, 0.25 % (w/v) PEG3350, 85 mM HEPES pH 7.5 |
2 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1.7 % (w/v) PEG 400, 15 % (v/v) glycerol, 1.7 M ammonium sulfate, 0.25 % (w/v) PEG3350, 85 mM HEPES pH 7.5 |