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5NX8

Crystal structure of Neanderthal Adenylosuccinate Lyase (ADSL)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID29
Synchrotron siteESRF
BeamlineID29
Temperature [K]100
Detector technologyPIXEL
Collection date2015-09-23
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.976
Spacegroup nameP 21 21 21
Unit cell lengths85.390, 104.880, 215.400
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.960 - 1.700
R-factor0.17343
Rwork0.171
R-free0.21493
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2j91
RMSD bond length0.015
RMSD bond angle1.496
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0131)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]48.0001.800
High resolution limit [Å]1.7001.700
Rmeas0.1161.300
Number of reflections21110230633
<I/σ(I)>9.81.2
Completeness [%]99.599.8
Redundancy4.64.7
CC(1/2)0.9980.420
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP829319-21% PEG6000, 0.1 M Tris pH 8

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