4WJ1

Crystal structure of EspB from the ESX-1 type VII secretion system

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	150
Detector technology	CCD
Collection date	2013-08-10
Detector	RAYONIX MX-300
Wavelength(s)	0.97857
Spacegroup name	P 32 2 1
Unit cell lengths	125.749, 125.749, 75.061
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	61.803 - 2.415
R-factor	0.1774
Rwork	0.175
R-free	0.20110
RMSD bond length	0.008
RMSD bond angle	1.033
Data scaling software	Aimless (0.3.5)
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.870	62.870	2.510
High resolution limit [Å]	2.410	9.040	2.410
Rmerge	0.118	0.064	0.611
Rpim	0.026	0.014	0.137
Total number of observations	580318	11256	57745
Number of reflections	26601
<I/σ(I)>	22.8	50.5	5.6
Completeness [%]	100.0	99.4	100
Redundancy	21.8	20	20.7
CC(1/2)	0.999	0.999	0.972

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	298	100 mM HEPES, 540 mM MgCl2, 15% PEG 6000