8D6K

Sco GlgEI-V279S in complex with cyclohexyl carbasugar

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2022-02-11
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.987
Spacegroup name	P 41 21 2
Unit cell lengths	112.438, 112.438, 310.411
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.400 - 2.730
R-factor	0.1932
Rwork	0.191
R-free	0.25870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u31
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.400	2.828
High resolution limit [Å]	2.730	2.730
Rpim	0.112
Number of reflections	51908	5263
<I/σ(I)>	1.1
Completeness [%]	96.3
Redundancy	7.5
CC(1/2)	0.988	0.455

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293	0.2 M sodium citrate pH 7.0 and 10 % W/V PEG 3350