6WNU

Crystal structure of the three-domain cyclomaltodextrin glucanotransferase CldA in the monomeric form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-02-08
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.194990
Spacegroup name	P 31
Unit cell lengths	67.770, 67.770, 105.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.080 - 1.880
R-factor	0.1878
Rwork	0.186
R-free	0.22680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qho
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.100	1.920
High resolution limit [Å]	1.880	1.880
Rmerge	0.092	0.797
Number of reflections	43950	2853
<I/σ(I)>	12.1	2.5
Completeness [%]	100.0	100
Redundancy	7.7	7.3
CC(1/2)	0.997	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.5	291	0.1 M ammonium acetate, 0.1 M Bis-Tris pH 5.5, 17%(w/v) PEG 10000