27RB

Crystal structure of SR Ca2+-ATPase in E2(TG) with bound BC

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	71.485, 71.485, 589.746
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.980 - 2.600
R-factor	0.2178
Rwork	0.216
R-free	0.26410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2agv
RMSD bond length	0.009
RMSD bond angle	1.324
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.649
High resolution limit [Å]	2.600	2.600
Number of reflections	48830	2444
<I/σ(I)>	12.2	2.5
Completeness [%]	99.2	88.9
Redundancy	19.6	9.9
CC(1/2)	0.995	0.579

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICRODIALYSIS	6.1	283	25% glycerol, 4% polyethylene glycol 400, 20 mM 2-(N-morpholino)ethanesulfonic acid-NaOH, 5 mM sodium azide, 0.2 mM dithiothreitol, 2ug/ml butylhydroxytoluene, 3 mM EGTA