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3NEZ

mRojoA

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL12-2
Synchrotron siteSSRL
BeamlineBL12-2
Temperature [K]100
Detector technologyCCD
Collection date2009-02-05
DetectorMAR CCD 165 mm
Spacegroup nameP 1 21 1
Unit cell lengths61.240, 97.410, 84.160
Unit cell angles90.00, 95.54, 90.00
Refinement procedure
Resolution30.480 - 1.700
R-factor0.184
Rwork0.182
R-free0.22100
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2h5q
RMSD bond length0.023
RMSD bond angle2.017
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.5.0088)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]38.0001.790
High resolution limit [Å]1.7001.700
Rmerge0.0420.393
Number of reflections102737
<I/σ(I)>11.92.2
Completeness [%]95.4
Redundancy2.32.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
16.5298200 mM ammonium acetate, 100 mM Bis-Tris, pH 6.5, and 25% (w/v) polyethylene glycol 3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K

222036

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