8R3X

Crystal structure of aPKC Iota kinase domain with LLGL2 peptide

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	2011-10-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9787
Spacegroup name	P 21 21 21
Unit cell lengths	78.418, 86.324, 114.803
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.995 - 2.591
Rwork	0.232
R-free	0.26920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.557
Data reduction software	xia2 (3.8.6)
Data scaling software	DIALS (3.8)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	114.800	2.640
High resolution limit [Å]	2.590	2.590
Number of reflections	24903	1203
<I/σ(I)>	8.6	0.5
Completeness [%]	100.0
Redundancy	6.5
CC(1/2)	0.995	0.269

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	300	Morpheus Condition: 25% (v/v) MPD, 25% (v/v) PEG 1000, 25% (v/v) PEG 3350, 0.3 M NaNO3, 0.3 M Na2HPO4, 0.3 M (NH4)2SO4, 0.1 M MES/imidazole pH 6.5