7TOK
Crystal structure of the CBM domain of carbohydrate esterase FjoAcXE
This is a non-PDB format compatible entry.
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 | 2018-03-03 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.9786 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 60.084, 120.964, 86.645 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.320 - 2.450 |
| R-factor | 0.2323 |
| Rwork | 0.230 |
| R-free | 0.28350 |
| Structure solution method | SAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.966 |
| 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] | 60.480 | 2.580 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.054 | 1.550 |
| Rpim | 0.026 | 0.745 |
| Number of reflections | 11980 | 1725 |
| <I/σ(I)> | 18.6 | 0.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.8 | 4.9 |
| CC(1/2) | 0.999 | 0.519 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 1 M ammonium sulfate, 0.6 M sodium citrate and 0.1 M calcium chloride |
