6TYA

Structure of N-terminus locked Esp with one pro-peptide residue - V67C, D255C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2019-03-19
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.00
Spacegroup name	P 61 2 2
Unit cell lengths	42.494, 42.494, 373.415
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.801 - 2.066
R-factor	0.154998882771
Rwork	0.150
R-free	0.19845
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pym
RMSD bond length	0.007
RMSD bond angle	0.806
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.801	2.140
High resolution limit [Å]	2.066	2.066
Rmerge	0.043
Rmeas	0.040
Number of reflections	13121	4750
<I/σ(I)>	48.99	17.23
Completeness [%]	97.0	82
Redundancy	14.7
CC(1/2)	0.998	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	25% PEG MME 5000, 0.2M Lithium Sulfate, 0.1M Tris pH 8.5