5KLC
Structure of CBM_E1, a novel carbohydrate-binding module found by sugar cane soil metagenome
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 | 2014-04-08 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.46 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 28.391, 26.514, 99.294 |
Unit cell angles | 90.00, 92.78, 90.00 |
Refinement procedure
Resolution | 26.922 - 1.746 |
R-factor | 0.1566 |
Rwork | 0.154 |
R-free | 0.20730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5klf |
RMSD bond length | 0.006 |
RMSD bond angle | 0.815 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.2) |
Phasing software | PHASER (2.5.7) |
Refinement software | PHENIX (1.10.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.620 | 27.620 | 1.780 |
High resolution limit [Å] | 1.740 | 9.060 | 1.740 |
Rmerge | 0.084 | 0.034 | 0.972 |
Number of reflections | 7638 | ||
<I/σ(I)> | 14.8 | 29.8 | 1.9 |
Completeness [%] | 98.9 | 97.1 | 81 |
Redundancy | 6.8 | 5.9 | 5.5 |
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 10.5 | 291 | 2 M ammonium sulfate, 0.2 M lithium sulfate and 0.1 M CAPS, pH 10.5 |