7TOJ
Crystal structure of carbohydrate esterase CspAcXE, 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 | 2018-04-18 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.978 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 120.160, 77.310, 42.080 |
| Unit cell angles | 90.00, 96.89, 90.00 |
Refinement procedure
| Resolution | 35.360 - 1.300 |
| R-factor | 0.1417 |
| Rwork | 0.141 |
| R-free | 0.16360 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.072 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.330 | 1.330 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.067 | 1.598 |
| Rpim | 0.025 | 0.648 |
| Number of reflections | 93360 | 6902 |
| <I/σ(I)> | 15 | 0.536 |
| Completeness [%] | 99.7 | 99.5 |
| Redundancy | 9.4 | 7 |
| CC(1/2) | 0.999 | 0.648 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 20 mM acetylated xylooligosaccharides, 30% (w/v) Jeffamine ED-2001 pH 7.0 |
