6LJF

Crystal structure of gelsolin G3 domain (calcium condition)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AichiSR BEAMLINE BL2S1
Synchrotron site	AichiSR
Beamline	BL2S1
Temperature [K]	95
Detector technology	CCD
Collection date	2017-12-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.12
Spacegroup name	C 1 2 1
Unit cell lengths	58.390, 41.810, 84.590
Unit cell angles	90.00, 105.23, 90.00

Refinement procedure

Resolution	40.809 - 1.500
R-factor	0.1744
Rwork	0.174
R-free	0.18350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ffk
RMSD bond length	0.007
RMSD bond angle	0.832
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.15)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.809	40.809	1.590
High resolution limit [Å]	1.500	4.480	1.500
Rmerge	0.061	0.020	0.678
Rmeas	0.069	0.022	0.761
Number of reflections	31464	1230	4971
<I/σ(I)>	16.66	57.55	2
Completeness [%]	99.5	99.4	98.5
Redundancy	4.858	4.863	4.78
CC(1/2)	0.999	1.000	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG3350, ammonium sulphate, calcium chloride