6U1B

Structure of N-terminus locked Esp with eight pro-peptide residues - 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	2018-03-30
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.00
Spacegroup name	P 61 2 2
Unit cell lengths	41.975, 41.975, 378.437
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.351 - 2.080
R-factor	0.165767712858
Rwork	0.160
R-free	0.21521
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pym
RMSD bond length	0.007
RMSD bond angle	0.823
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]	36.351	2.154
High resolution limit [Å]	2.080	2.080
Rmerge		0.038
Rmeas	0.014	0.054
Number of reflections	12812	1016
<I/σ(I)>	43.51
Completeness [%]	99.0
Redundancy	2
CC(1/2)	1.000	0.992

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	1 M Lithium Chloride, 0.1 M Tris pH 8.5, 20% PEG 6000