7U1V

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	2021-12-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.4857
Spacegroup name	P 2 21 21
Unit cell lengths	59.495, 115.864, 161.674
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.490 - 2.100
R-factor	0.1806
Rwork	0.179
R-free	0.20870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7t7k
RMSD bond length	0.007
RMSD bond angle	0.908
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	161.670	2.150
High resolution limit [Å]	2.100	2.100
Rpim	0.027	0.323
Number of reflections	66303	4219
<I/σ(I)>	19.2	2.1
Completeness [%]	99.7	96.1
Redundancy	12.8	11.3
CC(1/2)	0.999	0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	295	1.8 M sodium/potassium phosphate (pH 7.8), cryoprotected in crystallization buffer supplemented with 25% sucrose