8H5E

Crystal structure of the MgtE TM domain in complex with Ca2+ ions at 2.5 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	64.760, 70.280, 103.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.540 - 2.500
R-factor	0.2353
Rwork	0.233
R-free	0.25950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u9l
RMSD bond length	0.005
RMSD bond angle	1.194
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.540	2.650
High resolution limit [Å]	2.500	2.500
Number of reflections	17028	2665
<I/σ(I)>	10.8
Completeness [%]	99.9
Redundancy	35.3
CC(1/2)	0.995	0.574

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	PEG 400, HEPES, NaSCN