7XPC

Complex structure of D-glycerate-3-kinase(GLYK) and AVRvnt1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 63
Unit cell lengths	131.285, 131.285, 121.968
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.970 - 3.310
R-factor	0.2956
Rwork	0.293
R-free	0.31720
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.970	42.970	3.500
High resolution limit [Å]	3.310	9.710	3.310
Rmerge	0.144	0.054	2.466
Rmeas	0.152	0.057	2.595
Total number of observations	363729
Number of reflections	35167	1391	5663
<I/σ(I)>	11.9	39.14	1.21
Completeness [%]	99.9	98.7	99.7
Redundancy	10.343	9.208	10.347
CC(1/2)	0.998	0.998	0.576

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.6	277.15	10% w/v Polyethylene glycol 3,350, 0.1 M Tris pH 8.0, 100 mM Taurine and 10% w/v glycerol