8S3X

LIM Domain Kinase 2 (LIMK2) bound to compound 52

This is a non-PDB format compatible entry.

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	2021-09-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00002
Spacegroup name	P 1 21 1
Unit cell lengths	86.911, 86.921, 103.297
Unit cell angles	90.00, 94.38, 90.00

Refinement procedure

Resolution	45.830 - 2.590
R-factor	0.2413
Rwork	0.239
R-free	0.28750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.821
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.830	2.680
High resolution limit [Å]	2.590	2.590
Rmerge	0.082	0.556
Number of reflections	47823	4734
<I/σ(I)>	8.25
Completeness [%]	99.5
Redundancy	3.3	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293	16% PEG8000 0.04M potassium phosphate dibasic 20% glycerol