1IDR

CRYSTAL STRUCTURE OF THE TRUNCATED-HEMOGLOBIN-N FROM MYCOBACTERIUM TUBERCULOSIS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	2000-04-27
Detector	MARRESEARCH
Wavelength(s)	0.931
Spacegroup name	P 21 21 21
Unit cell lengths	44.800, 62.248, 91.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.900
R-factor	0.19207
Rwork	0.189
R-free	0.24977
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.053	0.331
Total number of observations	190583 *
Number of reflections	18688
<I/σ(I)>	18.1
Completeness [%]	95.1 *	88.9
Redundancy	3.5 *	2.3 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICRODIALYSIS	8.3	4 *	potassium phosphate, pH 8.3, MICRODIALYSIS, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	23 (mg/ml)
2	1	2		1.8 (M)