2GKN

Crystal structure of Mycobacterium tuberculosis trHbN, GlnE11Val mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-07-21
Wavelength(s)	0.934
Spacegroup name	P 21 21 21
Unit cell lengths	45.034, 62.388, 90.974
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.430 - 2.100
R-factor	0.21201
Rwork	0.208
R-free	0.28541
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.130
Data reduction software	MOSFLM
Phasing software	MOLREP
Refinement software	REFMAC (5.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.430	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.143	0.647
Number of reflections	10631
<I/σ(I)>		1.4
Completeness [%]	73.2	64.7
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.6	277	di-potassium hydrogen phosphate + sodium dihydrogen phosphate 1.8 M, pH 7.6, VAPOR DIFFUSION, temperature 277K