5DLB

Crystal structure of chaperone EspG3 of ESX-3 type VII secretion system from Mycobacterium marinum M

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-13
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0702
Spacegroup name	C 1 2 1
Unit cell lengths	112.206, 46.019, 58.006
Unit cell angles	90.00, 92.24, 90.00

Refinement procedure

Resolution	57.960 - 1.770
R-factor	0.2108
Rwork	0.209
R-free	0.24460
Structure solution method	SAD
RMSD bond length	0.019
RMSD bond angle	2.130
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	57.960	57.960	1.660
High resolution limit [Å]	1.770	4.370	1.550
Rmerge	0.066	0.030	1.646
Rmeas	0.063	0.043	2.221
Total number of observations	137146
Number of reflections	25746	3043	12979
<I/σ(I)>	12.6	22.08	0.39
Completeness [%]	89.0	81	85.1
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1uL 21.5mg/mL protein plus 0.5uL reservoir solution drop against 500uL reservoir solution of 1.45M ammonium sulfate, 200mM lithium sulfate, 70mM CAPS pH10.5, microseeded