4P02

Structure of Bacterial Cellulose Synthase with cyclic-di-GMP bound.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-09
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	67.640, 214.660, 220.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.990 - 2.650
R-factor	0.2
Rwork	0.199
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.754
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.750	2.700
High resolution limit [Å]	2.650	2.650
Rmerge	0.113	1.114
Number of reflections	86345
<I/σ(I)>	7.8	1.3
Completeness [%]	92.3	94.3
Redundancy	4.5	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		303	The well solution contained: 1.65-1.9 M Sodium Acetate, 100 mM Sodium Citrate (pH 3-3.5)