6VHR

Structure of PE5-PPE4-EspG3 complex from the type VII (ESX-3) secretion system, space group I422

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	CCD
Collection date	2018-06-05
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	I 4 2 2
Unit cell lengths	219.090, 219.090, 104.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.727 - 3.300
R-factor	0.2485
Rwork	0.248
R-free	0.26620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g38 4l4w
RMSD bond length	0.002
RMSD bond angle	0.503
Data reduction software	XDS (VERSION Jan 26, 2018 BUILT=20180319)
Data scaling software	XSCALE (VERSION Jan 26, 2018 BUILT=20180319)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.727	35.727	3.390
High resolution limit [Å]	3.300	14.760	3.300
Rmerge	0.087	0.037	2.182
Rmeas	0.091	0.040	2.308
Number of reflections	19380	239	1406
<I/σ(I)>	15.7	45.33	1.31
Completeness [%]	99.8	90.2	100
Redundancy	10.295	7.498	9.533
CC(1/2)	0.999	0.999	0.597

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	2M sodium chloride, 0.1M BIS-TRIS