7TOG
Crystal structure of carbohydrate esterase PbeAcXE, apoenzyme
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-04-16 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.690, 42.580, 76.840 |
| Unit cell angles | 90.00, 108.29, 90.00 |
Refinement procedure
| Resolution | 28.780 - 1.350 |
| R-factor | 0.1517 |
| Rwork | 0.150 |
| R-free | 0.17950 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.547 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.780 | 1.390 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.106 | 1.282 |
| Rpim | 0.035 | 0.515 |
| Number of reflections | 77721 | 5628 |
| <I/σ(I)> | 11.7 | 1.4 |
| Completeness [%] | 99.5 | 98.7 |
| Redundancy | 8.9 | 7 |
| CC(1/2) | 0.997 | 0.562 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 70 mM xylose, 0.1 M Tris pH 8.5, 0.2 M sodium acetate, and 30% (w/v) PEG4K |
