4U2Y

Sco GlgEI-V279S in Complex with Reaction Intermediate Azasugar

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	2014-02-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.08
Spacegroup name	P 41 21 2
Unit cell lengths	113.829, 113.829, 314.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.558 - 2.483
R-factor	0.1769
Rwork	0.175
R-free	0.21650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.352
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.483
Number of reflections	69481
<I/σ(I)>	31.3
Completeness [%]	94.0
Redundancy	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.2 M sodium citrate pH 7.0, and 10 % PEG 3350