1NGK

Crystallographic Structure of Mycobacterium tuberculosis Hemoglobin O

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, Hamburg
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-08-07
Detector	MAR scanner 345 mm plate
Spacegroup name	I 41 2 2
Unit cell lengths	187.034, 187.034, 274.861
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 2.110
R-factor	0.18768
Rwork	0.186
R-free	0.22600 *
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.250
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	SOLVE
Refinement software	REFMAC (5.1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *	2.150
High resolution limit [Å]	2.110	2.110
Rmerge	0.081	0.489
Total number of observations	1533455 *
Number of reflections	138692 *
<I/σ(I)>	16	2.8
Completeness [%]	99.7	97.5
Redundancy	11. *	3. *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.25	4 *	ammonium sulphate, pH 7.25, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	7.25	4 *	ammonium sulphate, pH 7.25, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	7.25	4 *	ammonium sulphate, pH 7.25, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	7.25	4 *	ammonium sulphate, pH 7.25, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	13.5 (mg/ml)
2	1	reservoir	ammonium sulfate	2.15 (M)
3	1	reservoir		0.001 (M)
4	1	reservoir	phosphate	0.05 (M)	pH7.25