6XXX

1.25 Angstrom crystal structure of Ca/CaM A102V:RyR2 peptide complex

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97624
Spacegroup name	P 21 21 21
Unit cell lengths	40.110, 41.800, 86.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.624 - 1.250
Rwork	0.142
R-free	0.18920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xxf
RMSD bond length	0.017
RMSD bond angle	2.065
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.800	1.250
High resolution limit [Å]	1.230	1.230
Rmerge	0.038	0.789
Rmeas	0.042	0.971
Rpim	0.017	0.553
Number of reflections	42088	1739
<I/σ(I)>	18.4	1.2
Completeness [%]	98.4	83.25
Redundancy	5.6	2.6
CC(1/2)	0.999	0.473

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Sodium acetate trihydrate pH 4.0, 25% w/v Polyethylene glycol 1,500