6PJJ

Human PRPF4B bound to benzothiophene inhibitor 224

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-16
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9159
Spacegroup name	P 65
Unit cell lengths	241.812, 241.812, 50.230
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	79.280 - 2.400
R-factor	0.1928
Rwork	0.190
R-free	0.24020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6cnh
RMSD bond length	0.005
RMSD bond angle	1.325
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	120.910	2.460
High resolution limit [Å]	2.400	2.400
Rmerge	0.328	1.832
Rmeas	0.337	1.878
Rpim	0.075	0.412
Total number of observations	1335190	90043
Number of reflections	66509	4383
<I/σ(I)>	8.4	2.2
Completeness [%]	100.0	100
Redundancy	20.1	20.5
CC(1/2)	0.996	0.815

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M HEPES pH 7.5, 0.1M Na/K phosphate, 15% PEG smear high, 10% etylene glycol