6WB4

Microbiome-derived Acarbose Kinase Mak1 Labeled with selenomethionine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97932
Spacegroup name	C 2 2 21
Unit cell lengths	113.831, 123.509, 102.443
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.600 - 2.593
R-factor	0.1891
Rwork	0.186
R-free	0.25310
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.022
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	SHELX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.601	29.600	2.710
High resolution limit [Å]	2.590	8.980	2.590
Rmerge	0.130	0.057	1.469
Rmeas	0.134	0.059	1.507
Rpim	0.030	0.013	0.331
Total number of observations		10068	52206
Number of reflections	22619	598	2645
<I/σ(I)>	16.9	50.1	2.2
Completeness [%]	99.4	97.4	95.9
Redundancy	20.2	16.8	19.7
CC(1/2)	0.999	0.999	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	1.25 M Ammonium Dihydrogen Phosphate, 0.1M Tris-HCl pH 8.3, 10 mM CaCl2, 6 mM ATP, 50 mM Acarbose