7EWD

Mycobacterium tuberculosis HigA2 (Form II)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-12-03
Detector	ADSC QUANTUM 270
Wavelength(s)	0.98
Spacegroup name	P 43 21 2
Unit cell lengths	67.621, 67.621, 190.646
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.960 - 3.200
R-factor	0.215
Rwork	0.212
R-free	0.26440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ewc
RMSD bond length	0.009
RMSD bond angle	1.697
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	3.260
High resolution limit [Å]	3.200	3.200
Rmerge	0.105
Number of reflections	7877	382
<I/σ(I)>	24.7
Completeness [%]	100.0
Redundancy	7.4
CC(1/2)	0.979	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	10% (w/v) PEK 8000, 8% (v/v) ethylene glycol, 0.1M HEPES pH 7.5