4KV2

Ubiquitin-like domain of the mycobacterium tuberculosis type VII secretion system protein ECCD1

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	2012-02-13
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 65 2 2
Unit cell lengths	46.720, 46.720, 279.020
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.500 - 1.880
R-factor	0.1902
Rwork	0.188
R-free	0.23580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kv3
RMSD bond length	0.010
RMSD bond angle	1.331
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.500		1.930
High resolution limit [Å]	1.880	8.410	1.880
Rmerge	0.106	0.026	0.996
Number of reflections	15843	242	1136
<I/σ(I)>	20.64	58.53	3.07
Completeness [%]	100.0	98.8	100
Redundancy	13.4		13.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	0.1M TRIS-HCL PH 8.5, 0.2M MAGNESIUM CHLORIDE, 30% PEG4000, vapor diffusion, sitting drop, temperature 295K