7C2P

Structure of Egk Peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-23
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.000034
Spacegroup name	P 1
Unit cell lengths	24.840, 37.920, 54.770
Unit cell angles	83.76, 78.35, 70.22

Refinement procedure

Resolution	35.650 - 2.100
R-factor	0.2311
Rwork	0.230
R-free	0.26270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4uj0
RMSD bond length	0.008
RMSD bond angle	0.890
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.000	2.220
High resolution limit [Å]	2.100	2.100
Rmerge	0.160
Number of reflections	9535	1392
<I/σ(I)>	3.11
Completeness [%]	88.3
Redundancy	1.7
CC(1/2)	0.902	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M sodium tartrate dibasic dehydrate, 20% w/v PEG 3350