5MTW

Mycobacterium tuberculosis Rv1957 SecB-like chaperone in complex with a ChAD peptide from Rv1956 HigA1 antitoxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.072522
Spacegroup name	P 21 21 21
Unit cell lengths	86.860, 89.960, 91.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.090 - 1.840
R-factor	0.2144
Rwork	0.212
R-free	0.26488
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fx3
RMSD bond length	0.019
RMSD bond angle	1.941
Data reduction software	XDS (autoPROC 1.1.7)
Data scaling software	XSCALE (autoPROC 1.1.7)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.090	1.867
High resolution limit [Å]	1.835	1.835
Rmerge	0.093	0.796
Number of reflections	63188	3135
<I/σ(I)>	13.7	2.3
Completeness [%]	99.9	99.6
Redundancy	6.5	6.7
CC(1/2)	0.999	0.338

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		285	25-27 % PEG 1500, calcium acetate 80-240 mM, 10 % DMSO, 100 mM Tris pH 8.0