9IFK

Crystal structure of Kalirin/Rac1 in complex with DK-2

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	2019-02-09
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97625
Spacegroup name	P 65 2 2
Unit cell lengths	62.475, 62.475, 339.601
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.630 - 1.340
R-factor	0.2186
Rwork	0.218
R-free	0.23470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.772
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.600	1.360
High resolution limit [Å]	1.340	1.340
Rmerge	0.196
Number of reflections	90013	4419
<I/σ(I)>	19.4
Completeness [%]	100.0
Redundancy	72
CC(1/2)	0.990	0.352

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M citrate pH 4.7, 0.8 M LiCl and 25% PEG 6K.