5VQJ
Discovery of a first GH11 exo-1,4-beta-xylanase from a diverse microbial sugar cane bagasse composting community
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-21 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.459 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 64.326, 64.326, 105.873 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.792 - 1.761 |
R-factor | 0.1953 |
Rwork | 0.194 |
R-free | 0.21830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xnk |
RMSD bond length | 0.005 |
RMSD bond angle | 1.042 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.490 | 45.490 | 1.800 |
High resolution limit [Å] | 1.760 | 8.980 | 1.760 |
Rmerge | 0.125 | 0.044 | 1.530 |
Rmeas | 0.128 | 0.045 | 1.573 |
Rpim | 0.026 | 0.010 | 0.360 |
Total number of observations | 543074 | ||
Number of reflections | 22638 | ||
<I/σ(I)> | 23.4 | ||
Completeness [%] | 99.6 | 99.6 | 96 |
Redundancy | 24 | 18.4 | 18.3 |
CC(1/2) | 0.999 | 1.000 | 0.767 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | BIS-TRIS propane, PEG 3350, NaI |