2PS3

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 21
Unit cell lengths	68.875, 89.842, 91.556
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.100 - 2.470
R-factor	0.243
Rwork	0.240
R-free	0.30300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ps0
RMSD bond length	0.011
RMSD bond angle	1.341
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.100	2.540
High resolution limit [Å]	2.450	2.450
Number of reflections	20560
Completeness [%]	98.7	90.4
Redundancy	6.6	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	5 mg/mL protein in 20 mM MOPS, pH 7.0, 5 mM EDTA, 20 mM NaCl, 5 % glycerol was mixed 1:1 with a cryoprotectant solution containing 35.5 % (w/v) PEG 4000, 0.2 M ammonium acetate, 9 % glycerol, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	5 mg/mL protein in 20 mM MOPS, pH 7.0, 5 mM EDTA, 20 mM NaCl, 5 % glycerol was mixed 1:1 with a cryoprotectant solution containing 35.5 % (w/v) PEG 4000, 0.2 M ammonium acetate, 9 % glycerol, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	5 mg/mL protein in 20 mM MOPS, pH 7.0, 5 mM EDTA, 20 mM NaCl, 5 % glycerol was mixed 1:1 with a cryoprotectant solution containing 35.5 % (w/v) PEG 4000, 0.2 M ammonium acetate, 9 % glycerol, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K