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6I34

Crystal structure of Neanderthal glycine decarboxylase (P-protein)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID30B
Synchrotron siteESRF
BeamlineID30B
Temperature [K]100
Detector technologyPIXEL
Collection date2017-10-23
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.98
Spacegroup nameP 1 21 1
Unit cell lengths86.873, 124.381, 201.304
Unit cell angles90.00, 98.57, 90.00
Refinement procedure
Resolution47.900 - 2.100
R-factor0.218
Rwork0.216
R-free0.24300
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)6i33
RMSD bond length0.019
RMSD bond angle1.915
Data reduction softwareXDS
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0222)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]47.9002.200
High resolution limit [Å]2.1002.100
Rmeas0.192
Number of reflections245944
<I/σ(I)>5.31.2
Completeness [%]99.9100
Redundancy5.15.2
CC(1/2)0.9930.640
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP72930.1 M HEPES pH 7, 6 % PEG3350, 10 mM DTT

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