6PK6

Human PRPF4B bound to benzothiophene inhibitor 329

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9686
Spacegroup name	P 41
Unit cell lengths	69.132, 69.132, 104.533
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.130 - 2.100
R-factor	0.1904
Rwork	0.189
R-free	0.21650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ijp
RMSD bond length	0.003
RMSD bond angle	1.210
Data reduction software	XDS
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	104.530	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.136	1.782
Rmeas	0.141	1.851
Rpim	0.038	0.497
Total number of observations	393055	32588
Number of reflections	28701	2373
<I/σ(I)>	14.1	1.9
Completeness [%]	100.0	100
Redundancy	13.7	13.7
CC(1/2)	0.999	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M CAPSO pH 9.5, 20% PEG 8,000