7M1S

Crystal structure of human guanylate-binding protein 2 (hGBP2) K51A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-10-02
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920126
Spacegroup name	C 2 2 21
Unit cell lengths	59.631, 140.569, 240.079
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.640 - 2.910
R-factor	0.2333
Rwork	0.245
R-free	0.27360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dg3
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.950
High resolution limit [Å]	2.900	7.860	2.900
Rmerge	0.173	0.049	1.741
Rmeas	0.182	0.052	1.855
Rpim	0.056	0.017	0.622
Total number of observations	211551
Number of reflections	22461	1239	1098
<I/σ(I)>	4.5
Completeness [%]	99.9	99.8	98.8
Redundancy	9.4	9.6	7.1
CC(1/2)		0.999	0.708

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	0.7M NaH2PO4, 1.05M K2HPO4, 0.1M sodium acetate pH 3.8