5A6L
High resolution structure of the thermostable glucuronoxylan endo-Beta-1, 4-xylanase, CtXyn30A, from Clostridium thermocellum with two xylobiose units bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-12-17 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.133, 87.249, 60.027 |
Unit cell angles | 90.00, 114.68, 90.00 |
Refinement procedure
Resolution | 54.540 - 1.800 |
R-factor | 0.13712 |
Rwork | 0.136 |
R-free | 0.16242 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDBE ENTRY 4UQE |
RMSD bond length | 0.018 |
RMSD bond angle | 1.763 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.250 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.280 | 1.490 |
Number of reflections | 43517 | |
<I/σ(I)> | 17.5 | 9.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.2 M POTASSIUM PHOSPHATE |