6K1Z

Crystal structure of farnesylated hGBP1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	80
Detector technology	CCD
Collection date	2018-12-08
Detector	RAYONIX MX-225
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	48.184, 113.959, 127.475
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.072 - 2.307
R-factor	0.2234
Rwork	0.220
R-free	0.26680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.611
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.090	1.043
Rpim	0.027	0.349
Number of reflections	31599	31559
<I/σ(I)>	28.45
Completeness [%]	99.5
Redundancy	11.9
CC(1/2)	0.996	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.02M Citric acid/0.08M BIS-TRIS propane (pH 8.8), 16% w/v Polyethylene glycol 3350