6IAM

Modulating Protein-Protein Interactions with Visible Light Peptide Backbone Switches

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-26
Detector	DECTRIS PILATUS3 X 2M
Wavelength(s)	0.873
Spacegroup name	P 1 21 1
Unit cell lengths	46.526, 46.560, 66.168
Unit cell angles	90.00, 107.22, 90.00

Refinement procedure

Resolution	37.490 - 1.510
Rwork	0.148
R-free	0.17000
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.490	1.564
High resolution limit [Å]	1.510	1.510
Rmerge	0.090	0.713
Rmeas	0.104	0.827
Rpim	0.051	0.414
Number of reflections	42377	4073
<I/σ(I)>	9.04	1.5
Completeness [%]	99.3	96.22
Redundancy	4	3.9
CC(1/2)	0.997	0.617

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277.15	10% (w/v) PEG20000, 20% (v/v) PEG550 MME, 0.02 M sodium formate, 0.02 M ammonium acetate, 0.02 M trisodium citrate, 0.02 M sodium potassium L-tartrate, 0.02 M sodium oxamate