3FBV

Crystal structure of the oligomer formed by the kinase-ribonuclease domain of Ire1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	77
Detector technology	CCD
Collection date	2008-08-30
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00000
Spacegroup name	P 21 21 2
Unit cell lengths	156.820, 163.470, 292.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.983 - 3.200
R-factor	0.2374
Rwork	0.235
R-free	0.28350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rio
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	ELVES

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.310
High resolution limit [Å]	3.200	3.200
Rmerge	0.053	0.342
Number of reflections	123887
<I/σ(I)>	16	2.2
Completeness [%]	100.0	100
Redundancy	23.2	23

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.6	298	Sodium citrate, pH 5.6, VAPOR DIFFUSION, temperature 298K