6JDZ
Ligand complex structure of GH10 family xylanase XynAF1, soaking for 20 minutes
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-03-22 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 |
Unit cell lengths | 44.353, 57.365, 64.845 |
Unit cell angles | 73.94, 80.58, 68.62 |
Refinement procedure
Resolution | 62.160 - 1.160 |
R-factor | 0.1383 |
Rwork | 0.137 |
R-free | 0.15690 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.027 |
RMSD bond angle | 2.526 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.160 | 1.180 |
High resolution limit [Å] | 1.160 | 1.160 |
Rmerge | 0.073 | 0.522 |
Number of reflections | 180455 | |
<I/σ(I)> | 19.28 | 2.625 |
Completeness [%] | 91.3 | 88.56 |
Redundancy | 3.5 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M MES pH6.5, 25%(w/v) PEG 6000 |