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4ZEL

Human dopamine beta-hydroxylase

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I02
Synchrotron siteDiamond
BeamlineI02
Temperature [K]100
Detector technologyPIXEL
Collection date2012-08-19
DetectorDECTRIS PILATUS 6M-F
Wavelength(s)1.00730
Spacegroup nameC 2 2 21
Unit cell lengths102.810, 119.060, 224.830
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution59.530 - 2.900
R-factor0.2315
Rwork0.230
R-free0.26960
Structure solution methodSAD
RMSD bond length0.007
RMSD bond angle1.457
Data reduction softwarexia2 (0.3.5.0)
Data scaling softwarexia2
Phasing softwareSHELXDE
Refinement softwarePHENIX
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]63.98063.9802.980
High resolution limit [Å]2.90012.9702.900
Rmerge0.1470.0311.263
Rpim0.0680.0160.561
Total number of observations202337206115396
Number of reflections30957
<I/σ(I)>10.634.41.6
Completeness [%]99.997.899.8
Redundancy6.55.36.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP29812% PEG3350, 0.2 M potassium nitrate

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