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6QWG

Serial Femtosecond Crystallography Structure of Cu Nitrite Reductase from Achromobacter cycloclastes: Nitrite complex at Room Temperature

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeFREE ELECTRON LASER
Source detailsSACLA BEAMLINE BL2
Synchrotron siteSACLA
BeamlineBL2
Temperature [K]301
Detector technologyCCD
Collection date2017-10-12
DetectorMPCCD
Wavelength(s)1.23
Spacegroup nameP 21 3
Unit cell lengths97.600, 97.600, 97.600
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution43.648 - 1.900
R-factor0.1382
Rwork0.137
R-free0.17230
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)6gb8
Data reduction softwareCrystFEL
Data scaling softwareCrystFEL
Phasing softwarePHASER
Refinement softwarePHENIX
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]43.6501.968
High resolution limit [Å]1.9001.900
Number of reflections247292438
<I/σ(I)>0
Completeness [%]99.999.8
Redundancy3281
CC(1/2)0.9900.630
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1BATCH MODE4.529320 mg per ml AcNiR in 20 mM Tris HCl pH 7.5 mixed with 2.5 M ammonium sulfate, 0.1 M sodium citrate pH 4.5 in a ratio of 1 to 3 and mixed by vortexing for 60sec

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