7T7O

Structure of SPAC806.04c protein from fission yeast covalently bound to BeF3

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	2021-11-09
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.60601
Spacegroup name	P 2 21 21
Unit cell lengths	57.937, 116.495, 151.573
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.350 - 2.160
R-factor	0.2026
Rwork	0.202
R-free	0.23490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7t7k
RMSD bond length	0.008
RMSD bond angle	0.939
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.080	2.220
High resolution limit [Å]	2.160	2.160
Rpim	0.110	0.487
Number of reflections	55903	4532
<I/σ(I)>	7.6	2.6
Completeness [%]	99.9	99.9
Redundancy	11.4	11
CC(1/2)	0.989	0.629

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.3 mM SPAC806.04c protein in 5 mM CoCl2, 5 mM BeCl2, 15 mM NaF, 15 mM Tris-HCl (pH 7.5), and 112 mM NaCl-containing buffer mixed with equla volume of 1.8 M sodium phosphate monobasic monohydrate/potassium phosphate dibasic (pH 8.0)