5HVK

Crystal structure of LIMK1 mutant D460N in complex with full-length cofilin-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-28
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	81.116, 102.283, 141.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.112 - 3.500
R-factor	0.2754
Rwork	0.273
R-free	0.31040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bex
RMSD bond length	0.003
RMSD bond angle	0.763
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (dev_1819)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.630
High resolution limit [Å]	3.500	3.500
Rmerge	0.540
Number of reflections	15631
<I/σ(I)>	2.5	1.3
Completeness [%]	100.0	100
Redundancy	10.1	8.5
CC(1/2)	0.531

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	1.2-1.4 M tri-Sodium citrate, 0.1 M sodium acetate, pH 5.5. 4 crystals used.