8H43

Crystal structure of PHF1 Tudor domain in complex with hit 1

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	2020-08-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	P 65 2 2
Unit cell lengths	42.718, 42.718, 401.905
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.921 - 2.300
R-factor	0.2557
Rwork	0.254
R-free	0.28890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hcz
Data reduction software	XDS
Data scaling software	SCALA (0.7.7)
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.990	36.990	2.390
High resolution limit [Å]	2.300	8.610	2.300
Rmerge	0.126	0.112	0.932
Rmeas	0.133	0.120	0.985
Rpim	0.042	0.043	0.313
Total number of observations	111123	2076	10780
Number of reflections	10935	302	1109
<I/σ(I)>	13.4	23.5	2.4
Completeness [%]	99.9	99.2	100
Redundancy	10.2	6.9	9.7
CC(1/2)	0.994	0.991	0.818

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.15 M sodium citrate, 2 M ammonium sulfate, pH 5.5