6VC6

2.1 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Gut Microorganisms in Complex with NAD and Mn2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2019-10-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	194.460, 62.257, 160.706
Unit cell angles	90.00, 90.35, 90.00

Refinement procedure

Resolution	48.614 - 2.133
R-factor	0.1977
Rwork	0.196
R-free	0.22860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dvv
RMSD bond length	0.004
RMSD bond angle	0.772
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX (1.11.1-2575_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.130	5.810	2.130
Rmerge	0.120	0.103	0.634
Rmeas	0.135	0.116	0.720
Rpim	0.060	0.053	0.334
Number of reflections	106570	5552	5239
<I/σ(I)>	5.3
Completeness [%]	99.4	99.2	98.3
Redundancy	4.8	4.7	4.3
CC(1/2)		0.983	0.742

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	297	0.6M Sodium Chloride, 0.1M MES:NaOH, 20% PEG4000