22PC

Crystal structure of the histone-binding motif of ATRX in complex with H3-H4-ASF1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	70.406, 90.928, 70.815
Unit cell angles	90.00, 94.11, 90.00

Refinement procedure

Resolution	48.110 - 3.000
R-factor	0.2257
Rwork	0.224
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.662
Data reduction software	HKL-2000
Data scaling software	HKL-2000
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	3.050
High resolution limit [Å]	3.000	8.130	3.000
Rmerge	0.149	0.074	0.805
Rmeas	0.168	0.084	0.900
Rpim	0.075	0.037	0.394
Total number of observations	86964
Number of reflections	17993	928	913
<I/σ(I)>	4.5
Completeness [%]	98.5	98.1	99.3
Redundancy	4.8	4.6	5
CC(1/2)	0.983	0.991	0.626

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8.2	289	1.4 M Sodium phosphate monobasic monohydrate/Potassium phosphate dibasic pH 8.2