7UDJ

Crystal structure of designed helical repeat protein RPB_PEW3_R4 bound to PAWx4 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03318
Spacegroup name	P 21 21 21
Unit cell lengths	45.400, 67.600, 71.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.300 - 2.700
R-factor	0.2467
Rwork	0.245
R-free	0.27040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	predicted model
RMSD bond length	0.002
RMSD bond angle	0.406
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.16-3549-0000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.300	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.070	1.056
Rmeas	0.077	1.147
Rpim	0.031	0.444
Number of reflections	6383	612
<I/σ(I)>	12.04	1.3
Completeness [%]	99.6	99
Redundancy	6.1	6.4
CC(1/2)	0.998	0.808

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	0.1 M MES, pH 5, 30% w/v PEG6000