5M87

Crystal structure of Eremococcus coleocola manganese transporter

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-02-22
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0, 0.9794, 0.9796, 0.9173
Spacegroup name	C 1 2 1
Unit cell lengths	149.200, 81.650, 96.230
Unit cell angles	90.00, 107.57, 90.00

Refinement procedure

Resolution	12.000 - 3.300
R-factor	0.2344
Rwork	0.232
R-free	0.27710
Structure solution method	MAD
RMSD bond length	0.002
RMSD bond angle	0.529
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHELXCD
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.400
High resolution limit [Å]	3.300	3.300
Rmeas	0.051	1.646
Number of reflections	16757
<I/σ(I)>	26.6	1.8
Completeness [%]	99.7	99.6
Redundancy	13.6
CC(1/2)	0.998	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	50 mM Tris-HCl pH 8.6 22,8% PEG 400 (v/v)