4RVW

Structure of the bacterial Zn-transporter ZnuD from Neisseria meningitidis (soaked with 20 micromolar Zinc)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-05
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.2695
Spacegroup name	I 2 2 2
Unit cell lengths	101.548, 149.592, 157.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.541 - 4.477
R-factor	0.3195
Rwork	0.317
R-free	0.37960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.743
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.541	47.541	4.720
High resolution limit [Å]	4.477	14.160	4.480
Rmerge		0.020	0.020
Total number of observations		2667	14057
Number of reflections	7456
<I/σ(I)>	8.7	6.3	0.3
Completeness [%]	99.0	97	99.2
Redundancy	12.5	10	13.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	300	0.1M sodium cacodylate pH 6.6, 0.5M Magnesium Sulfate, 2% (w/v) Ethylene glycol, 0.7mM Cadmium chloride; 10 mM ZnCl soaking, vapor diffusion, hanging drop, temperature 300K