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6W3B

Structure of apo unphosphorylated IRE1

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCLSI BEAMLINE 08ID-1
Synchrotron siteCLSI
Beamline08ID-1
Temperature [K]90
Detector technologyPIXEL
Collection date2018-06-01
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.97949
Spacegroup nameC 2 2 21
Unit cell lengths68.039, 167.588, 103.494
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution44.028 - 2.570
R-factor0.2057
Rwork0.203
R-free0.24590
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5hgi
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.12-2829_final)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]44.02844.0282.579
High resolution limit [Å]2.57011.8532.570
Rmerge0.0640.0271.155
Rmeas0.0670.0291.217
Rpim0.0210.0100.376
Total number of observations18782011
Number of reflections36280234201
<I/σ(I)>23.260.92
Completeness [%]99.810098
Redundancy9.8810
CC(1/2)0.9990.9990.737
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.52770.1 M Hepes pH 7.5, 42% PEG200, 1 M lithium chloride, 3% w/v 6-aminohexanoic acid

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