5M8J

Crystal structure of Eremococcus coleocola manganese transporter mutant H236A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-04-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.8927
Spacegroup name	C 1 2 1
Unit cell lengths	150.400, 81.790, 96.440
Unit cell angles	90.00, 107.47, 90.00

Refinement procedure

Resolution	11.996 - 3.700
R-factor	0.2127
Rwork	0.210
R-free	0.25690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m87
RMSD bond length	0.002
RMSD bond angle	0.496
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.11_2567: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.800
High resolution limit [Å]	3.700	3.700
Rmeas	0.059	1.477
Number of reflections	11966
<I/σ(I)>	17.2	1.96
Completeness [%]	98.9	99.9
Redundancy	11.2
CC(1/2)	0.999	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	50 mM Tris-HCl pH 8.2 22.6% PEG 400 (v/v)