8GI4

Crystal structure of human LIMK2 PDZ domain

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	PIXEL
Collection date	2021-10-05
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	80.950, 83.028, 83.080
Unit cell angles	90.00, 96.58, 90.00

Refinement procedure

Resolution	80.420 - 2.060
R-factor	0.2102
Rwork	0.209
R-free	0.23380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.450
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER (v2.8.3)
Refinement software	PHENIX (v2.8.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.130	2.160
High resolution limit [Å]	2.050	2.050
Rmeas	0.146	1.706
Rpim	0.033	0.440
Total number of observations	1329519	127846
Number of reflections	68051	8868
<I/σ(I)>	23.1	1.9
Completeness [%]	98.3
Redundancy	19.5	14.4
CC(1/2)	0.996	0.517

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.1 M HEPES, pH 7.5, 10% 2-propanol, 20% PEG4000