2PS9

Structure and metal binding properties of ZnuA, a periplasmic zinc transporter from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-07-06
Detector	MAR scanner 300 mm plate
Spacegroup name	P 21 21 2
Unit cell lengths	91.068, 78.015, 85.894
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.150
R-factor	0.238
Rwork	0.235
R-free	0.29600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ps0
RMSD bond length	0.010
RMSD bond angle	1.267
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.086	0.372
Number of reflections	32326
<I/σ(I)>	10.7
Completeness [%]	95.4	78.6
Redundancy	6.5	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	7.25 mg/mL CoZnuA in buffer H (50 mM HEPES, pH 7.5, 200 mM NaCl) was mixed 1:1 with 25 % (w/v) PEG 4000, 3.5 % isopropanol, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	7.25 mg/mL CoZnuA in buffer H (50 mM HEPES, pH 7.5, 200 mM NaCl) was mixed 1:1 with 25 % (w/v) PEG 4000, 3.5 % isopropanol, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	7.25 mg/mL CoZnuA in buffer H (50 mM HEPES, pH 7.5, 200 mM NaCl) was mixed 1:1 with 25 % (w/v) PEG 4000, 3.5 % isopropanol, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K