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 |