2GLN

Crystal structure of Mycobacterium tuberculosis trHbN, GlnE11Ala mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	CCD
Wavelength(s)	0.931
Spacegroup name	P 21 21 21
Unit cell lengths	45.777, 60.443, 87.886
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.980
R-factor	0.17634
Rwork	0.173
R-free	0.23345
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.217
Data reduction software	MOSFLM
Phasing software	EPMR
Refinement software	REFMAC (5.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	1.980	1.980
Number of reflections	16471
Completeness [%]	98.8	87.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	277	sodium dihydrogen phosphate and dipotassium hydrogen phosphate 1.8 M, pH 7.0, VAPOR DIFFUSION, temperature 277K