4W4L

Crystal structure of EspG5 in complex with PE25 and PPE41 from the ESX-5 type VII secretion system of M. tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.116
Spacegroup name	P 61 2 2
Unit cell lengths	138.640, 138.640, 169.680
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.005 - 2.450
R-factor	0.203
Rwork	0.202
R-free	0.22970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4w4j 4w4k
RMSD bond length	0.004
RMSD bond angle	0.763
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1727))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.510
High resolution limit [Å]	2.450	2.450
Rmerge		8.700
Number of reflections	35773
<I/σ(I)>	26.1	1.2
Completeness [%]	99.3	98.9
Redundancy	87.3	89.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M HEPES pH 6.5, 5% (w/v) PEG 8000