7UE2

Crystal structure of designed helical repeat protein RPB_PLP3_R6 bound to PLPx6 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	2020-07-31
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03319
Spacegroup name	I 4 2 2
Unit cell lengths	124.470, 124.470, 104.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.080 - 2.680
R-factor	0.2283
Rwork	0.226
R-free	0.27710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Computational Design Model
RMSD bond length	0.002
RMSD bond angle	0.474
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.100	2.780
High resolution limit [Å]	2.680	2.680
Rmerge	0.113
Rmeas	0.117
Rpim	0.032
Number of reflections	11891	1169
<I/σ(I)>	18.5
Completeness [%]	92.1	77.42
Redundancy	13.1	1.21
CC(1/2)	1.000	0.514

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	291.15	2.4 M ammonium sulfate, 0.1 M trisodium citrate, pH 4