6DDN

The sulfate-binding protein SubI from Mycobacterium tuberculosis H37Rv

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-31
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.4586
Spacegroup name	F 41 3 2
Unit cell lengths	243.732, 243.732, 243.732
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.906 - 2.295
R-factor	0.272
Rwork	0.270
R-free	0.31300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sbp
RMSD bond length	0.005
RMSD bond angle	0.701
Data reduction software	XDS (Nov 11, 2017 BUILT=20180124)
Data scaling software	XDS (Nov 11, 2017 BUILT=20180124)
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.910	2.430
High resolution limit [Å]	2.295	2.295
Rmerge	0.379	11.300
Rmeas	0.382	11.500
Number of reflections	27656	4395
<I/σ(I)>	15.65	0.32
Completeness [%]	97.6	98.3
Redundancy	65.6	30.8
CC(1/2)	0.999	0.604

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Tris 100 mM pH 8.5, Sodium acetate 200 mM e PEG 4000 16% (w/v)