4M5C

Crystal Structure of an Truncated Transition metal Transporter

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.589
Spacegroup name	C 2 2 21
Unit cell lengths	64.479, 103.820, 121.285
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.723 - 2.500
R-factor	0.2034
Rwork	0.201
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.063
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.500	2.500
Number of reflections	27181
Completeness [%]	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.8	291.15	30% PEG 400, 0.05M CAPSO, 0.05M magnesium acetate,, pH 9.8, VAPOR DIFFUSION, HANGING DROP, temperature 291.15K