5XKL

Crystal structure of Rv0289/EspG3 from the ESX-3 type VII secretion system of M. tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-07
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.978
Spacegroup name	C 2 2 21
Unit cell lengths	75.653, 95.603, 94.989
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.826 - 2.392
R-factor	0.2218
Rwork	0.218
R-free	0.25660
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.834
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10_2142: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.830	2.430
High resolution limit [Å]	2.390	2.390
Rmerge	0.052
Rpim	0.020
Number of reflections	13917	701
<I/σ(I)>	2.15
Completeness [%]	99.7
Redundancy	7.7
CC(1/2)	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	1M Ammonium Sulphate, 0.5% PEG 3350, 0.1 M Bis-tris pH 5.5, 1mM NAD