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