5XFS

Crystal structure of PE8-PPE15 in complex with EspG5 from M. tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.69
Spacegroup name	P 21 21 21
Unit cell lengths	54.740, 69.960, 203.549
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.599 - 2.900
R-factor	0.2157
Rwork	0.213
R-free	0.26240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4w4l
RMSD bond length	0.009
RMSD bond angle	1.106
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall
Low resolution limit [Å]	29.600
High resolution limit [Å]	2.900
Rmerge	0.133
Number of reflections	17933
<I/σ(I)>	6.7
Completeness [%]	99.5
Redundancy	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	200 mM Sodium Chloride, 100 mM Tris pH 8.5, 25% (w/v) PEG 3350