7F51

Crystal structure of Hst2 in complex with 2'-O-Benzoyl ADP Ribose

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	2019-06-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97855
Spacegroup name	P 21 21 21
Unit cell lengths	42.166, 67.363, 92.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.040 - 1.980
R-factor	0.183
Rwork	0.181
R-free	0.22040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q1a
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.010
High resolution limit [Å]	1.980	5.370	1.980
Rmerge	0.074	0.043	0.347
Rmeas	0.081	0.048	0.382
Rpim	0.032	0.019	0.157
Total number of observations	121484
Number of reflections	19067	1068	931
<I/σ(I)>	5.9
Completeness [%]	99.9	99.4	99.3
Redundancy	6.4	5.8	5.7
CC(1/2)		0.998	0.925

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2 M Ammonium fluoride, 20% w/v Polyethylene glycol 3350