6DVV

2.25 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Klebsiella pneumoniae in Complex with NAD and Mn2+.

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	86.027, 86.027, 230.777
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.990 - 2.250
R-factor	0.16709
Rwork	0.164
R-free	0.21896
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.392
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	0.092	0.833
Rmeas	0.099	0.894
Rpim	0.036	0.324
Number of reflections	47795	2327
<I/σ(I)>	25.2	2.5
Completeness [%]	99.7	99.5
Redundancy	7.4	7.5
CC(1/2)		0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	Protein: 7.3 mg/ml, 0.01M Tris-HCl pH 8.3, 2mM Mn; Screen: Classics II (G4), 0.2M Lithium sulfate, 0.1M HEPES pH 7.5, 25% (w/v) PEG 3350;