8Y1M
Xylanase R from Bacillus sp. TAR-1 complexed with xylobiose.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-23 |
Detector | DECTRIS EIGER R 4M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 88.702, 53.335, 96.567 |
Unit cell angles | 90.00, 93.58, 90.00 |
Refinement procedure
Resolution | 44.260 - 1.800 |
R-factor | 0.1677 |
Rwork | 0.166 |
R-free | 0.20210 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.865 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.046 | 0.476 |
Rmeas | 0.054 | 0.565 |
Number of reflections | 82976 | 12885 |
<I/σ(I)> | 16.8 | 2.49 |
Completeness [%] | 97.5 | 94.8 |
Redundancy | 3.39 | 3.35 |
CC(1/2) | 0.999 | 0.846 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 4.6 | 293 | 0.02 M CaCl2, 0.1 M CH3COONa, 22% v/v 2-methyl-2,4-pentanediol, 0.35 M xylobiose |