5TSB

Crystal structure of the Zrt-/Irt-like protein from Bordetella bronchiseptica with bound Cd2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	193
Detector technology	PIXEL
Collection date	2016-10-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	96.076, 61.596, 54.870
Unit cell angles	90.00, 108.74, 90.00

Refinement procedure

Resolution	26.494 - 2.700
R-factor	0.2286
Rwork	0.227
R-free	0.26750
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.209
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.494	50.000	2.800
High resolution limit [Å]	2.700	5.810	2.700
Rmerge	0.162	0.100	0.482
Rmeas	0.169
Rpim	0.048
Total number of observations	79447
Number of reflections	7889
<I/σ(I)>	4.6
Completeness [%]	93.2	91.9	83.3
Redundancy	10.1	12.7	4.2
CC(1/2)		0.998	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7.5	294	protein concentration: 15 mg/mL; buffer: 10 mM Hepes pH 7.3, 300 mM NaCl, 5% Glycerol, 0.02% DDM; crystallization condition: 0.1 M Sodium chloride, 0.1 M Cadmium chloride hemi, 0.1 M Tris-HCl pH 7.5, 33% PEG 400