6KWE
Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2019-06-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.251, 59.113, 69.763 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.842 - 1.503 |
R-factor | 0.1501 |
Rwork | 0.149 |
R-free | 0.16690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dfc |
RMSD bond length | 0.008 |
RMSD bond angle | 0.988 |
Data reduction software | XDS |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.842 | 1.557 |
High resolution limit [Å] | 1.503 | 1.503 |
Rmerge | 0.108 | 0.108 |
Number of reflections | 32324 | 3121 |
<I/σ(I)> | 12.65 | |
Completeness [%] | 99.5 | |
Redundancy | 2.67 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 4.5 | 291 | PEG 8000, NaI, NaAc-HAc |