5CYU

Structure of the soluble domain of EccB1 from the Mycobacterium smegmatis ESX-1 secretion system.

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	PIXEL
Collection date	2014-04-06
Detector	PSI PILATUS 6M
Wavelength(s)	0.9789
Spacegroup name	P 61 2 2
Unit cell lengths	74.410, 74.410, 280.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	64.440 - 3.070
R-factor	0.2464
Rwork	0.241
R-free	0.29740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kk7
RMSD bond length	0.008
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.440	13.730	3.150
High resolution limit [Å]	3.070	9.710	3.070
Rmerge	0.103	0.039	2.223
Rmeas	0.110	0.042	2.374
Total number of observations	72652
Number of reflections	8748	200	603
<I/σ(I)>	13.67	35.56	1.01
Completeness [%]	92.9	86.2	91.2
Redundancy	8.3		8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Protein storage buffer: 20 mM Tris, pH 8.0, 300 mM NaCl, 10% glycerol Reservoir solution: 14% PEG 8000, 200 mM NaCl, 100 mM PO4-Citrate pH 4.2 Cryoprotectant: reservoir solution with 20% propylene glycol.