7T7K

Structure of SPAC806.04c protein from fission yeast bound to Co2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-07
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97918
Spacegroup name	P 2 21 21
Unit cell lengths	58.654, 116.314, 151.862
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.420 - 1.900
R-factor	0.1653
Rwork	0.164
R-free	0.19570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	a low resolution structure (2.75A) obtained with a Phyre2 model for a diffferent crystal of the same protein
RMSD bond length	0.007
RMSD bond angle	0.922
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.510	1.940
High resolution limit [Å]	1.900	1.900
Rpim	0.043	0.383
Number of reflections	82654	4480
<I/σ(I)>	12	2.2
Completeness [%]	99.9	99.8
Redundancy	9.4	9.6
CC(1/2)	0.999	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.3 mM SPAC806.04c, 5 mM CoCl2, 19 mM Tris-HCl (pH 7.5), and 142 mM NaCl buffer mixed with precipitant solution containing 1.8 M sodium phosphate monobasic monohydrate/potassium phosphate dibasic (pH 8.2)