8AAU

LIM Domain Kinase 1 (LIMK1) bound to LIMKi3

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	2017-01-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 61 2 2
Unit cell lengths	85.668, 85.668, 182.108
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	68.710 - 1.740
R-factor	0.2128
Rwork	0.211
R-free	0.23990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nxd
RMSD bond length	0.010
RMSD bond angle	1.078
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.710	1.800
High resolution limit [Å]	1.740	1.740
Rmerge	0.019	0.239
Number of reflections	41448	4039
<I/σ(I)>	16.7	2.4
Completeness [%]	100.0	99.98
Redundancy	2	2
CC(1/2)	0.999	0.913

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	277	0.1 M acetate pH 4.5, 0.2 M lithium sulfate, 12% PEG8K