5KLF
Structure of CBM_E1, a novel carbohydrate-binding module found by sugar cane soil metagenome, complexed with cellopentaose and gadolinium ion
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-13 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.48 |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 88.410, 88.410, 88.410 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.258 - 1.801 |
| R-factor | 0.1694 |
| Rwork | 0.168 |
| R-free | 0.19110 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.181 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.5.2) |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 31.260 | 31.260 | 1.840 |
| High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
| Rmerge | 0.130 | 0.071 | 0.814 |
| Rmeas | 0.137 | 0.075 | 0.857 |
| Rpim | 0.042 | 0.024 | 0.265 |
| Total number of observations | 113653 | 927 | 6595 |
| Number of reflections | 10827 | ||
| <I/σ(I)> | 15.1 | 24.9 | 4 |
| Completeness [%] | 100.0 | 97.8 | 100 |
| Redundancy | 10.5 | 9.3 | 10.3 |
| CC(1/2) | 0.997 | 0.999 | 0.908 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 4 M sodium formate |
