4WI0
Crystal structure of Coh3ScaB-XDoc_M2ScaA complex: A C-terminal interface mutant of type II Cohesin-X-Dockerin complex from Acetivibrio cellulolyticus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-02-18 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97620 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.540, 88.300, 92.020 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 63.710 - 1.930 |
R-factor | 0.1992 |
Rwork | 0.197 |
R-free | 0.24120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2b59 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.096 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | BALBES |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 92.020 | 46.010 | 1.980 |
High resolution limit [Å] | 1.930 | 9.050 | 1.930 |
Rmerge | 0.136 | 0.065 | 0.497 |
Rpim | 0.035 | 0.304 | |
Total number of observations | 815 | 4476 | |
Number of reflections | 29281 | ||
<I/σ(I)> | 5 | 11.2 | 2 |
Completeness [%] | 90.8 | 83.5 | 92.3 |
Redundancy | 3.3 | 3.5 | 3.1 |
CC(1/2) | 0.993 | 0.561 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 292 | 25% PEG 3350, 0.1 M Bis_tris pH 5.5, 0.2 M MgCl2 |