9HYG

Crystal structure of zebrafish S100I1 in Na+-bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-07
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	33.230, 55.860, 45.020
Unit cell angles	90.00, 100.00, 90.00

Refinement procedure

Resolution	34.727 - 1.650
R-factor	0.2105
Rwork	0.209
R-free	0.23190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.751
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	BALBES
Refinement software	PHENIX (v1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.710
High resolution limit [Å]	1.650	10.000	1.650
Rmerge	0.038	0.019	1.107
Rmeas	0.042	0.021	1.202
Number of reflections	19587	101	1990
<I/σ(I)>	21.33
Completeness [%]	99.8
Redundancy	6.7
CC(1/2)	1.000	1.000	0.814

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2M Na acetate, 0.1 M Tris-HCl pH 9.5, 35% PEG 4000