7U1X

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 EIGER2 X 16M
Wavelength(s)	1.2822
Spacegroup name	P 2 21 21
Unit cell lengths	59.300, 117.533, 153.435
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.920 - 2.120
R-factor	0.1783
Rwork	0.176
R-free	0.21570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7t7k
RMSD bond length	0.008
RMSD bond angle	0.873
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]	46.920	2.170
High resolution limit [Å]	2.110	2.110
Rpim	0.057	0.378
Number of reflections	61347	3701
<I/σ(I)>	13	2
Completeness [%]	98.6	82
Redundancy	10	8.6
CC(1/2)	0.997	0.592

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	1.8 M Sodium/potassium phosphate (pH 8.0), cryoprotected in crystallization solution supplemented with 25% sucrose