7ATS

The LIMK1 Kinase Domain Bound To LIJTF500127

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	2019-03-03
Detector	PSI PILATUS 6M
Wavelength(s)	0.9999
Spacegroup name	P 61 2 2
Unit cell lengths	81.096, 81.096, 173.953
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.710 - 2.800
R-factor	0.2511
Rwork	0.248
R-free	0.31220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nxc
RMSD bond length	0.011
RMSD bond angle	1.343
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (7.0.053)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.710	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.061	0.539
Number of reflections	8956	1255
<I/σ(I)>	16.5	2.2
Completeness [%]	100.0
Redundancy	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% PEG3350 0.1 M bis-tris-propane pH 7.5 0.2 M potassium thiocyanate 10% ethylene glycol