7EWC

Mycobacterium tuberculosis HigA2 (Form I)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-03
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	30.610, 88.955, 114.961
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.220 - 2.050
R-factor	0.209
Rwork	0.207
R-free	0.24710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y7y 3b7h 3kxa 2a6c
RMSD bond length	0.010
RMSD bond angle	1.693
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	2.090
High resolution limit [Å]	2.050	2.050
Rmerge	0.079
Number of reflections	20447	969
<I/σ(I)>	29
Completeness [%]	99.8
Redundancy	6
CC(1/2)	0.990	0.984

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	11% (w/v) PEK 20000, 0.1M MES pH 6.5