7ZTN
Crystal structure of fungal CE16 acetyl xylan esterase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-12-07 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 91.825, 91.825, 162.462 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 79.650 - 1.450 |
R-factor | 0.14097 |
Rwork | 0.139 |
R-free | 0.17143 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AlphaFold |
RMSD bond length | 0.011 |
RMSD bond angle | 1.560 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 162.400 | 1.470 |
High resolution limit [Å] | 1.450 | 1.450 |
Number of reflections | 140699 | 6878 |
<I/σ(I)> | 15.5 | |
Completeness [%] | 100.0 | |
Redundancy | 17 | |
CC(1/2) | 0.990 | 0.488 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Potassium thiocyanate, Bis Tris propane, PEG 3350 |