8P81

Crystal structure of human Cdk12/Cyclin K in complex with inhibitor SR-4835

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 2
Unit cell lengths	103.042, 137.906, 58.471
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.310 - 2.680
R-factor	0.2116
Rwork	0.207
R-free	0.25480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.433
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.310	2.770
High resolution limit [Å]	2.680	2.680
Number of reflections	21122	1520
<I/σ(I)>	12.4
Completeness [%]	96.3
Redundancy	12.8
CC(1/2)	1.000	0.464

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	288	0.1 M MOPS pH 6.5, 30% PEG mix, 0.1 M NDSB