4X5U

X-ray crystal structure of CagL at pH 4.2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979450
Spacegroup name	P 65 2 2
Unit cell lengths	63.018, 63.018, 243.763
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	54.580 - 2.300
R-factor	0.25734
Rwork	0.254
R-free	0.31283
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zci
RMSD bond length	0.008
RMSD bond angle	1.094
Data scaling software	XDS
Refinement software	REFMAC (5.8.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.580	2.390
High resolution limit [Å]	2.300	2.300
Rmerge	0.169	5.247
Number of reflections	13696
<I/σ(I)>	19.3	1.3
Completeness [%]	100.0	100
Redundancy	37.2	39.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	293	30% v/v ethanol, 200 mM sodium phosphate/citric acid, pH 4.2, 5% w/v PEG 1000, 1% v/v glycerol, Microseeding