4KV3

Ubiquitin-like domain of the Mycobacterium tuberculosis type VII secretion system protein EccD1 as maltose-binding protein fusion

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	2012-08-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 65
Unit cell lengths	125.680, 125.680, 124.490
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.910 - 2.200
R-factor	0.1649
Rwork	0.163
R-free	0.20470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1anf
RMSD bond length	0.009
RMSD bond angle	1.319
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]			2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.105		1.097
Number of reflections	56556	654	4161
<I/σ(I)>	17.71	54.41	2.88
Completeness [%]	100.0	99.1	100
Redundancy	11.5		11.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	0.1M HEPES PH 7.5, 1.4M SODIUM CITRATE, vapor diffusion, sitting drop, temperature 295K