22OX

Crystal structure of ATRX ATPase domain

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	2017-12-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9785
Spacegroup name	C 1 2 1
Unit cell lengths	159.530, 60.400, 94.140
Unit cell angles	90.00, 100.57, 90.00

Refinement procedure

Resolution	49.610 - 2.900
R-factor	0.2336
Rwork	0.232
R-free	0.27760
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.089
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	autoSHARP
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.950
High resolution limit [Å]	2.900	7.860	2.900
Rmerge	0.053	0.036	0.469
Rmeas	0.062	0.043	0.550
Rpim	0.031	0.022	0.284
Total number of observations	73395
Number of reflections	19733	1034	997
<I/σ(I)>	7.7
Completeness [%]	99.7	98.3	99.7
Redundancy	3.7	3.5	3.6
CC(1/2)	0.996	0.997	0.928

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7	277	0.2 M Ammonium citrate tribasic, 20% Polyethylene glycol 3350