6DUX

2.25 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Klebsiella pneumoniae in Complex with NAD.

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	2018-06-06
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 32 2 1
Unit cell lengths	85.226, 85.226, 228.858
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.890 - 2.250
R-factor	0.15612
Rwork	0.154
R-free	0.19129
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.365
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.290
High resolution limit [Å]	2.250	2.250
Rmerge	0.102	0.782
Rmeas	0.109	0.832
Rpim	0.037	0.282
Number of reflections	46596	2254
<I/σ(I)>	22.9	3
Completeness [%]	100.0	100
Redundancy	8.5	8.6
CC(1/2)		0.854

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	292	Protein: 10.3 mg/ml, 0.01M Tris-HCl pH 8.3, 2mM NAD; Screen: Classics II (B11) 2.1M DL-malic acid pH 7.0; Cryo: Screen + 20% glycerol.