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6CM2

SAMHD1 HD domain bound to decitabine triphosphate

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 24-ID-C
Synchrotron siteAPS
Beamline24-ID-C
Temperature [K]100
Detector technologyPIXEL
Collection date2016-08-17
DetectorPSI PILATUS 6M
Wavelength(s)0.98
Spacegroup nameP 1 21 1
Unit cell lengths87.492, 146.536, 98.552
Unit cell angles90.00, 114.61, 90.00
Refinement procedure
Resolution50.000 - 2.140
R-factor0.17614
Rwork0.174
R-free0.22534
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4bzb
RMSD bond length0.016
RMSD bond angle1.860
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0158)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.180
High resolution limit [Å]2.1402.140
Rmerge0.132
Number of reflections125515
<I/σ(I)>9.30.88
Completeness [%]98.9
Redundancy4.1
CC(1/2)0.9930.175
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1BATCH MODE298SPG buffer, PEG 1500

217705

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