5M8A

Crystal structure of Eremococcus coleocola manganese transporter mutant E129A

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
Spacegroup name	C 1 2 1
Unit cell lengths	149.100, 80.800, 96.400
Unit cell angles	90.00, 107.40, 90.00

Refinement procedure

Resolution	11.996 - 3.900
R-factor	0.2131
Rwork	0.211
R-free	0.26180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m87
RMSD bond length	0.002
RMSD bond angle	0.490
Data reduction software	XDS
Data scaling software	XDS
Refinement software	PHENIX ((1.11_2567: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	4.000
High resolution limit [Å]	3.900	3.900
Rmeas	0.064	1.224
Number of reflections	10000
<I/σ(I)>	13.4	1.84
Completeness [%]	98.4	98.3
Redundancy	6.8
CC(1/2)	0.997	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	50 mM Tris-HCl pH 8.6 22.6% PEG 400 (v/v)