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6DYZ

Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-((prop-2-yn-1-ylthio)methyl)pyrrolidin-3-ol

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 31-ID
Synchrotron siteAPS
Beamline31-ID
Temperature [K]100
Detector technologyCCD
Collection date2017-11-14
DetectorRAYONIX MX225HE
Wavelength(s)0.97931
Spacegroup nameP 3 2 1
Unit cell lengths122.821, 122.821, 44.624
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution106.370 - 1.620
R-factor0.17039
Rwork0.169
R-free0.18999
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5tc6
RMSD bond length0.011
RMSD bond angle1.573
Data reduction softwareiMOSFLM
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0189)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]106.3701.650
High resolution limit [Å]1.6201.620
Number of reflections48526
<I/σ(I)>2
Completeness [%]98.6
Redundancy12.5
CC(1/2)0.9990.758
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7295100 mM HEPES, pH 7.0, 10% w/v PEG6000

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