8IR2

Crystal structure of the SLF1 BRCT domain in complex with a Rad18 peptide containing pS442 and pS444

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	40.352, 76.203, 141.614
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.100 - 1.750
R-factor	0.1658
Rwork	0.164
R-free	0.20230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.890
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.780
High resolution limit [Å]	1.750	4.750	1.750
Rmerge	0.170	0.057	1.126
Rmeas	0.178	0.060	1.206
Rpim	0.051	0.017	0.428
Total number of observations	520523
Number of reflections	44776	2452	2159
<I/σ(I)>	3.7
Completeness [%]	100.0	99.9	99.5
Redundancy	11.6	11.8	7.9
CC(1/2)	0.999	0.999	0.715

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	0.19M MgCl2, 0.1M BIS-TRIS pH6.5, 25% PEG3350