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 |
