1Q08

Crystal structure of the Zn(II) form of E. coli ZntR, a zinc-sensing transcriptional regulator, at 1.9 A resolution (space group P212121)

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	2001-05-18
Detector	MARRESEARCH
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	41.989, 46.681, 118.927
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.000 * - 1.900
R-factor	0.183
Rwork	0.183
R-free	0.21400
Structure solution method	SIRAS
RMSD bond length	0.004
RMSD bond angle	16.700 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	SHARP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.000	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.081	0.354
Total number of observations	50994 *
Number of reflections	18897
<I/σ(I)>	8.4	2.6
Completeness [%]	99.2	99
Redundancy	2.7	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	18 *	sodium phosphate dibasic, MES, sodium chloride, magnesium chloride, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4 (mg/ml)
2	1	drop	dithiothreitol	5 (mM)
3	1	reservoir		0.1 (M)
4	1	reservoir	MES	0.1 (M)	pH6.5
5	1	reservoir		20 (mM)
6	1	reservoir		10 (mM)