6TWN

Crystal structure of Talin1 R7R8 in complex with CDK1 (206-223)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-24
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9686
Spacegroup name	P 21 21 21
Unit cell lengths	69.000, 97.870, 104.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.150 - 2.280
R-factor	0.2167
Rwork	0.214
R-free	0.26180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2x0c
RMSD bond length	0.003
RMSD bond angle	0.520
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.150	2.350
High resolution limit [Å]	2.280	2.280
Rmerge	0.204	1.309
Rpim	0.099	0.652
Number of reflections	32879	2498
<I/σ(I)>	7
Completeness [%]	99.6	98.9
Redundancy	5.1
CC(1/2)	0.992	0.541

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	0.1M Na citrate pH 5.6, 20% Isopropanol and 20% PEG4K