5YJ8

Identification of a small molecule inhibitor for the Tudor domain of TDRD3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9774
Spacegroup name	P 32 2 1
Unit cell lengths	50.974, 50.974, 42.087
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.462 - 1.762
R-factor	0.1906
Rwork	0.187
R-free	0.22630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pmt
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.790
High resolution limit [Å]	1.760	4.770	1.760
Rmerge	0.076	0.055	0.504
Rmeas	0.078	0.057	0.520
Rpim	0.018	0.014	0.127
Total number of observations	123251
Number of reflections	6495	374	295
<I/σ(I)>	4.5
Completeness [%]	99.4	100	96.1
Redundancy	19	17.4	15.7
CC(1/2)		0.991	0.970

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	1.5M Ammonium sulfate, 0.1M Sodium acetate trihydrate, pH 4.6