6JDY
Ligand complex structure of GH10 family xylanase XynAF1, soaking for 120 minutes
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-10-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 |
Unit cell lengths | 44.330, 57.106, 64.734 |
Unit cell angles | 74.19, 80.96, 68.87 |
Refinement procedure
Resolution | 62.150 - 1.500 |
R-factor | 0.1229 |
Rwork | 0.121 |
R-free | 0.15070 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.026 |
RMSD bond angle | 2.378 |
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] | 62.150 | 1.555 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.050 | 0.091 |
Number of reflections | 83792 | |
<I/σ(I)> | 18.79 | 12.64 |
Completeness [%] | 92.2 | 92.86 |
Redundancy | 3.3 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M MES pH6.5, 25%(w/v) PEG 6000 |