5GUG

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

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	2016-06-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	211.988, 223.488, 319.869
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.489 - 7.399
R-factor	0.3594
Rwork	0.356
R-free	0.41590
RMSD bond length	0.015
RMSD bond angle	1.693
Data reduction software	XDS (VERSION May 1, 2016)
Data scaling software	XDS (VERSION May 1, 2016)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.490	7.663
High resolution limit [Å]	7.399	7.399
Rmerge	0.294	0.572
Number of reflections	10397
<I/σ(I)>	6.94	2.17
Completeness [%]	99.4	99
Redundancy	10.7	8.1
CC(1/2)	0.978	0.258

Crystallization Conditions

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