5KLE
Structure of CBM_E1, a novel carbohydrate-binding module found by sugar cane soil metagenome, complexed with cellopentaose
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) | 0.96 |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 88.812, 88.812, 88.812 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.257 - 1.500 |
| R-factor | 0.1564 |
| Rwork | 0.155 |
| R-free | 0.18290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5klf |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.716 |
| Data scaling software | Aimless (0.5.21) |
| Phasing software | PHASER (2.6.1) |
| Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.410 | 44.410 | 1.530 |
| High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
| Rmerge | 0.077 | 0.022 | 0.844 |
| Rmeas | 0.085 | 0.025 | 0.930 |
| Rpim | 0.034 | 0.011 | 0.386 |
| Total number of observations | 114680 | 705 | 4749 |
| Number of reflections | 18747 | ||
| <I/σ(I)> | 17.9 | 58 | 2.2 |
| Completeness [%] | 99.5 | 98 | 90.7 |
| Redundancy | 6.1 | 5.3 | 5.6 |
| CC(1/2) | 0.999 | 0.999 | 0.704 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 4 M sodium formate |
