7NL2
Structure of Xyn11 from Pseudothermotoga thermarum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-01-31 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979257 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 91.452, 95.268, 100.527 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.500 - 1.800 |
R-factor | 0.1576 |
Rwork | 0.156 |
R-free | 0.18410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ofj |
RMSD bond length | 0.008 |
RMSD bond angle | 1.435 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP (7.0.066) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.630 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.090 | 0.684 |
Rmeas | 0.098 | 0.745 |
Rpim | 0.038 | 0.293 |
Number of reflections | 81903 | 4456 |
<I/σ(I)> | 13 | 2.7 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.5 | 6.4 |
CC(1/2) | 0.998 | 0.882 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 10% PEG 3350, 0.2 M Proline, 0.1 M Hepes pH 7.5. Mother liquor solution was supplemented by 25% of glycerol to cryoprotect the crystal during the data collection. |