6LCB

Crystal structure of human Dishevelled1 PDZ domain with its inhibitor NPL3009

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2019-06-18
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.100
Spacegroup name	I 41 2 2
Unit cell lengths	85.375, 85.375, 46.167
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.600 - 1.400
R-factor	0.215
Rwork	0.214
R-free	0.22980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lca
RMSD bond length	0.006
RMSD bond angle	0.868
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.470
High resolution limit [Å]	1.400	1.400
Number of reflections	17013	2661
<I/σ(I)>	28.5	2.64
Completeness [%]	99.5	98.6
Redundancy	13.3	13.7
CC(1/2)	1.000	0.861

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.5 M Ammonium sulfate 0.1 M Sodium citrate tribasic dehydrate 1.0 M Lithium sulfate monohydrate 1.0 M Guanidine hydrochloride