1FX7

CRYSTAL STRUCTURE OF THE IRON-DEPENDENT REGULATOR (IDER) FROM MYCOBACTERIUM TUBERCULOSIS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	1999-12-01
Detector	APS-1
Spacegroup name	P 21 21 21
Unit cell lengths	46.309, 113.970, 236.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.214 *
Rwork	0.214
R-free	0.27200
RMSD bond length	0.007
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.055	0.311
Total number of observations	896284 *
Number of reflections	82283
<I/σ(I)>	28.6
Completeness [%]	95.9	75.4
Redundancy	10.9	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	7 *	4 *	2.0 M lithium sulfate 0.01 M magnesium chloride 0.1 M MES buffer ~0.1 mM 21 bp duplex DNA oligomer, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 20K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	8-10 (mg/ml)
2	1	2		50 (mM)
3	1	2	Tris-HCl	10 (mM)