8BU5

Structure of DDB1 bound to SR-4835-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	2020-09-21
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	249.938, 249.938, 219.302
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	60.580 - 3.134
R-factor	0.1996
Rwork	0.199
R-free	0.22010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.008
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]	216.453	3.333
High resolution limit [Å]	3.134	3.134
Number of reflections	108210	5410
<I/σ(I)>	15.1
Completeness [%]	96.4
Redundancy	21
CC(1/2)	0.999	0.445

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.28 M ammonium sulphate, 0.72 M ammonium citrate tribasic pH 7.0, 0.07 M HEPES pH 7.0