3V5U

Structure of Sodium/Calcium Exchanger from Methanocaldococcus jannaschii DSM 2661

Experimental procedure

Experimental method	SIRAS
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-06-18
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	49.490, 72.879, 96.206
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.673 - 1.900
R-factor	0.1871
Rwork	0.185
R-free	0.21040
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.375
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	SHARP
Refinement software	PHENIX ((phenix.refine: 1.6.1_357))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.900	1.900
Number of reflections	27923
Completeness [%]	98.9	97.8
Redundancy		8.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	lipic cubic phase	6.5	293	42% (v/v) PEG400, 0.1-0.2 M NaAc, 0.1 M MES pH 6.5, lipic cubic phase, temperature 293K
1	lipic cubic phase	6.5	293	42% (v/v) PEG400, 0.1-0.2 M NaAc, 0.1 M MES pH 6.5, lipic cubic phase, temperature 293K