8BU9

Structure of DDB1 bound to roscovitine-engaged CDK12-cyclin K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-27
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	249.461, 249.461, 216.033
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	76.380 - 3.510
R-factor	0.1809
Rwork	0.179
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.938
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	216.037	3.707
High resolution limit [Å]	3.505	3.505
Number of reflections	82984	4150
<I/σ(I)>	9.5
Completeness [%]	95.5
Redundancy	21
CC(1/2)	0.997	0.300

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.42 M ammonium sulphate, 0.63 M ammonium citrate tribasic pH 7.0, 0.07 M HEPES pH 7.0