5NBO

Bacteroides ovatus mixed linkage glucan PUL (MLGUL) GH16

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976
Spacegroup name	C 1 2 1
Unit cell lengths	167.466, 60.801, 49.385
Unit cell angles	90.00, 94.49, 90.00

Refinement procedure

Resolution	49.230 - 1.800
R-factor	0.16351
Rwork	0.161
R-free	0.20414
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4crq
RMSD bond length	0.018
RMSD bond angle	1.830
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.230	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.067	0.446
Rpim	0.053	0.365
Number of reflections	45483	2726
<I/σ(I)>	10	2
Completeness [%]	98.9	99.9
Redundancy	3	3
CC(1/2)	0.996	0.669

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	100 mM MES pH 6 200 mM LiCl2 15-25% Peg-6000