9H8S

Human CDK8/Cyclin-C complex with inhibitor 3-7

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)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	71.066, 69.157, 166.825
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.380 - 2.157
R-factor	0.197
Rwork	0.194
R-free	0.24770
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	0.890
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]	65.381	2.271
High resolution limit [Å]	2.157	2.157
Rmerge	0.165	2.165
Rmeas	0.171	2.245
Rpim	0.047	0.593
Number of reflections	38173	1909
<I/σ(I)>	12	1.4
Completeness [%]	94.6	64
Redundancy	13.4	14.2
CC(1/2)	0.998	0.547

Crystallization Conditions

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