5X9Z

Crystal structure of inositol 1,4,5-trisphosphate receptor large cytosolic domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-18
Detector	RAYONIX MX225HE
Wavelength(s)	1.00
Spacegroup name	C 2 2 21
Unit cell lengths	212.503, 221.726, 318.452
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.145 - 7.311
R-factor	0.3209
Rwork	0.317
R-free	0.39370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	fragments of 3JAV C-alpha model and 3UJ4 chain A
RMSD bond length	0.009
RMSD bond angle	1.452
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.100	7.572
High resolution limit [Å]	7.300	7.311
Rmerge	0.200	0.575
Number of reflections	10669	1030
<I/σ(I)>	10.5	2.31
Completeness [%]	99.9	99
Redundancy	11.3	8.1
CC(1/2)	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	sodium citrate