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6QI1

Time resolved structural analysis of the full turnover of an enzyme - 12312 ms

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron sitePETRA III, EMBL c/o DESY
BeamlineP14 (MX2)
Temperature [K]293
Detector technologyPIXEL
Collection date2016-06-24
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.9627
Spacegroup nameP 1 21 1
Unit cell lengths41.760, 79.610, 84.430
Unit cell angles90.00, 102.86, 90.00
Refinement procedure
Resolution20.048 - 1.900
R-factor0.2143
Rwork0.212
R-free0.25880
RMSD bond length0.005
RMSD bond angle0.756
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwarePHENIX ((1.12_2829: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]82.3201.940
High resolution limit [Å]1.9001.900
Number of reflections42453
<I/σ(I)>2.1
Completeness [%]99.9
Redundancy31.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1BATCH MODE29318-20 % (w/v)) PEG3350, 200 mM CaCl2, and 100 mM Tris-HCl pH 8.5

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