6HFZ
Crystal structure of a two-domain esterase (CEX) active on acetylated mannans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.975310 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.116, 136.516, 85.134 |
| Unit cell angles | 90.00, 115.09, 90.00 |
Refinement procedure
| Resolution | 47.870 - 1.750 |
| R-factor | 0.19178 |
| Rwork | 0.190 |
| R-free | 0.23184 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.471 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | AutoSol |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.190 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.079 | 0.631 |
| Number of reflections | 155949 | 7703 |
| <I/σ(I)> | 11.5 | 2.2 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 6.7 | 6.4 |
| CC(1/2) | 0.998 | 0.815 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.2M ammonium acetate, 0.1M HEPES pH 7.5 and 25% w/v PEG 3350 |
