9H8C

Human CDK8/Cyclin-C complex with inhibitor 2-9

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-24
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	71.531, 69.208, 168.237
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.000 - 2.573
R-factor	0.1924
Rwork	0.189
R-free	0.26210
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	0.880
Data reduction software	autoPROC
Data scaling software	autoPROC ((Version 1.0.5))
Phasing software	BUSTER
Refinement software	BUSTER (2.11.8 (26-JUL-2023))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.004	2.838
High resolution limit [Å]	2.573	2.573
Rmerge	0.209	1.980
Rmeas	0.218	2.066
Rpim	0.065	0.585
Number of reflections	19966	999
<I/σ(I)>	11.2	1.4
Completeness [%]	90.7	52.5
Redundancy	11.2	12.3
CC(1/2)	0.997	0.566

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG3350, MES pH6.5, HEPES pH6.8, Sodium Formate