4I0X

Crystal structure of the Mycobacterum abscessus EsxEF (Mab_3112-Mab_3113) complex

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	2011-07-25
Detector	PSI PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 1
Unit cell lengths	47.600, 74.060, 84.420
Unit cell angles	114.57, 103.28, 95.52

Refinement procedure

Resolution	19.995 - 1.956
R-factor	0.1647
Rwork	0.159
R-free	0.21310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.156
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall
Low resolution limit [Å]	19.995
High resolution limit [Å]	1.956
Rmerge	0.057
Number of reflections	67097
<I/σ(I)>	13.69
Completeness [%]	93.0
Redundancy	1.959

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	291	RESERVOIR: 0.1M tri-sodium citrate, pH5.6, 0.2M potassium sodium tartrate, 2M ammonium sulfate. PROTEIN CONCENTRATION: 11 MG/ML. PROTEIN BUFFER: 20 mM Tris, pH 8.0, 150mM NaCl, 10% Glycerol, 2 mM B-ME. CRYO: reservoir solution plus 25% glycerol., VAPOR DIFFUSION, HANGING DROP, temperature 291K