4UQA
X-ray structure of glucuronoxylan-xylanohydrolase (Xyn30A) from Clostridium thermocellum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-10-15 |
Detector | DECTRIS PILATUS3 6M |
Spacegroup name | P 1 |
Unit cell lengths | 46.732, 50.366, 58.871 |
Unit cell angles | 65.00, 67.28, 76.84 |
Refinement procedure
Resolution | 50.390 - 1.520 |
R-factor | 0.137 |
Rwork | 0.135 |
R-free | 0.17100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ckq |
RMSD bond length | 0.010 |
RMSD bond angle | 1.392 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.390 | 1.570 |
High resolution limit [Å] | 1.520 | 1.520 |
Rmerge | 0.040 | 0.140 |
Number of reflections | 66458 | |
<I/σ(I)> | 23 | 10.22 |
Completeness [%] | 96.5 | 94.6 |
Redundancy | 4.3 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.1 M TRIS-HCL 8.5, 8 % (W/V) PEG 8 K |