5NRM

Crystal structure of the sixth cohesin from Acetivibrio cellulolyticus' scaffoldin B in complex with Cel5 dockerin S51I, L52N mutant

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	2013-12-13
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	30.490, 59.950, 51.260
Unit cell angles	90.00, 106.88, 90.00

Refinement procedure

Resolution	49.050 - 1.400
R-factor	0.1796
Rwork	0.178
R-free	0.20520
RMSD bond length	0.019
RMSD bond angle	1.960
Data reduction software	MOSFLM
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	18.980	18.980	1.420
High resolution limit [Å]	1.400	7.670	1.400
Rmerge	0.074	0.040	0.438
Rmeas	0.095	0.050	0.566
Rpim	0.059	0.031	0.356
Total number of observations	76946	508	3686
Number of reflections	33539
<I/σ(I)>	6.5	18.7	1.8
Completeness [%]	96.6	92.3	95.1
Redundancy	2.3	2.5	2.3
CC(1/2)	0.995	0.995	0.503

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	0.1M HEPES, 28% PEG400