6LJE

Crystal structure of gelsolin G3 domain (calcium and magnesium 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	2018-07-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.12
Spacegroup name	C 1 2 1
Unit cell lengths	58.900, 41.240, 84.590
Unit cell angles	90.00, 105.54, 90.00

Refinement procedure

Resolution	40.750 - 1.400
R-factor	0.183
Rwork	0.183
R-free	0.18870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ffk
RMSD bond length	0.012
RMSD bond angle	1.213
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]	40.751	40.751	1.490
High resolution limit [Å]	1.400	4.180	1.400
Rmerge	0.052	0.029	0.851
Rmeas	0.058	0.032	0.956
Number of reflections	37286	1522	5818
<I/σ(I)>	15.58	47.48	1.53
Completeness [%]	96.5	99.2	93.7
Redundancy	5.107	5.456	4.774
CC(1/2)	0.999	0.999	0.686

Crystallization Conditions

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