6QTG

Crystal structure of human CDK8/CYCC in complex with BI-1347

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-08-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	69.539, 73.922, 168.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.600 - 2.700
R-factor	0.202
Rwork	0.201
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rgf
RMSD bond length	0.008
RMSD bond angle	0.940
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	MOLREP
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.200	2.749
High resolution limit [Å]	2.702	2.702
Number of reflections	24333
<I/σ(I)>	12.5
Completeness [%]	99.3
Redundancy	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		278	32-38% Morpheus Precipitant Mix 4 10 mmol/L Morpheus Buffer System 1 100 mM Morpheus Amino Acids Mix 2% DMSO