1Q0A

Crystal structure of the Zn(II) form of E. coli ZntR, a zinc-sensing transcriptional regulator (space group C222)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-02-01
Detector	MARRESEARCH
Wavelength(s)	0.97
Spacegroup name	C 2 2 2
Unit cell lengths	84.666, 170.707, 42.208
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.590 - 2.000
R-factor	0.229
Rwork	0.229
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	ZntR in P212121 crystal form
RMSD bond length	0.004
RMSD bond angle	16.500 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.000	2.030
High resolution limit [Å]	1.980	1.980
Rmerge	0.052	0.219
Number of reflections	21722
<I/σ(I)>	13	4.7
Completeness [%]	98.6	83
Redundancy	4	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	18 *	Na/K tartrate, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium potassium phosphate	0.52 (M)
2	1	reservoir	HEPES	0.08 (%(v/v)saturated)	pH7.5
3	1	drop	protein	4 (mg/ml)
4	1	drop	dithiothreitol	5 (mM)