3SDM

Structure of oligomeric kinase/RNase Ire1 in complex with an oligonucleotide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Detector technology	CCD
Collection date	2008-01-09
Detector	ADSC QUANTUM 315
Wavelength(s)	1.115879
Spacegroup name	C 2 2 2
Unit cell lengths	91.650, 580.670, 177.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	96.778 - 6.600
R-factor	0.2875
Rwork	0.286
R-free	0.31700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.925
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall
Low resolution limit [Å]	96.778
High resolution limit [Å]	6.600
Number of reflections	9380
Completeness [%]	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	300	SODIUM CITRATE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K