7KMM
Crystal structure of XAC1771, a novel carbohydrate acetylesterase from Xanthomonas citri
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2019-06-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.28 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 77.852, 63.497, 88.284 |
Unit cell angles | 90.00, 98.15, 90.00 |
Refinement procedure
Resolution | 19.970 - 1.899 |
R-factor | 0.1921 |
Rwork | 0.190 |
R-free | 0.23810 |
Structure solution method | SIRAS |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELXS |
Refinement software | PHENIX (dev_3139) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.970 | 2.010 |
High resolution limit [Å] | 1.899 | 1.899 |
Number of reflections | 126243 | 20260 |
<I/σ(I)> | 12.01 | 1.36 |
Completeness [%] | 95.6 | 94.6 |
Redundancy | 7.133 | |
CC(1/2) | 0.998 | 0.617 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 0.1 mol/L Tris 20% PEG 6000 0.01 mol/L Zinc chloride |