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6AA6

X-ray structure of ReQy1 (reduced form)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL44XU
Synchrotron siteSPring-8
BeamlineBL44XU
Temperature [K]100
Detector technologyCCD
Collection date2016-11-01
DetectorRAYONIX MX300HE
Wavelength(s)0.90000
Spacegroup nameP 1 21 1
Unit cell lengths59.009, 70.562, 65.069
Unit cell angles90.00, 94.77, 90.00
Refinement procedure
Resolution64.840 - 2.390
R-factor0.19318
Rwork0.190
R-free0.24729
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1myw
RMSD bond length0.013
RMSD bond angle1.807
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0189)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]64.8402.440
High resolution limit [Å]2.4002.400
Rmerge0.1280.572
Number of reflections20231
<I/σ(I)>13.7
Completeness [%]95.897.5
Redundancy3.13
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP29350mM Tris-HCl(pH7.0), 150mM NaCl, 20%(w/v) PEG3350

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