7KBR

Co-crystal structure of alpha glucosidase with compound 10

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-04-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	P 32
Unit cell lengths	102.815, 102.815, 240.552
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.330 - 2.090
R-factor	0.1637
Rwork	0.163
R-free	0.18600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f0e
Data reduction software	HKL-2000 (v717.1)
Data scaling software	HKL-2000 (v717.1)
Phasing software	PHENIX (1.18.2_3874)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.330	2.169
High resolution limit [Å]	2.090	2.090
Rmerge	0.131	0.960
Rmeas	0.140	1.034
Rpim	0.048	0.380
Number of reflections	166814	16182
<I/σ(I)>	10.57	1.22
Completeness [%]	99.5	97.06
Redundancy	8.3	7.2
CC(1/2)	0.993	0.683

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	297	0.09M NPS, 0.1M Buffer system 1 pH 7.0, 29%v/v P500MME_P20K