7MGY

Sco GlgEI-V279S in complex with 4-alpha-glucoside of valienamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2020-07-31
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9787
Spacegroup name	P 41 21 2
Unit cell lengths	112.784, 112.784, 310.198
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.480 - 1.830
R-factor	0.1855
Rwork	0.185
R-free	0.21670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u31
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.480	1.896
High resolution limit [Å]	1.830	1.830
Rmerge	0.180	6.231
Rmeas	0.186	6.499
Rpim	0.046
Number of reflections	176156	17390
<I/σ(I)>	9.28	0.21
Completeness [%]	93.1
Redundancy	16.3
CC(1/2)	0.998	0.436

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298.15	0.2 mM Sodium citrate pH 7 and 10 % PEG 3350