6HA9
Structure of an endo-Xyloglucanase from Cellvibrio japonicus complexed with XXXG(2F)-beta-DNP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-05-08 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.476, 97.809, 158.121 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 79.190 - 2.000 |
| R-factor | 0.22201 |
| Rwork | 0.219 |
| R-free | 0.28725 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.782 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.180 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.105 | 1.027 |
| Rpim | 0.050 | 0.486 |
| Number of reflections | 60094 | 4336 |
| <I/σ(I)> | 7.4 | 1.5 |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 6 | 6.3 |
| CC(1/2) | 0.992 | 0.630 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | ammonium sulfate, MES |
