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5NN5

Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with 1-deoxynojirimycin

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID23-2
Synchrotron siteESRF
BeamlineID23-2
Temperature [K]100
Detector technologyPIXEL
Collection date2014-04-18
DetectorDECTRIS PILATUS3 6M
Wavelength(s)0.872600
Spacegroup nameP 21 21 21
Unit cell lengths97.486, 102.972, 129.028
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution53.860 - 2.000
R-factor0.18509
Rwork0.183
R-free0.21809
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)5nn3
RMSD bond length0.009
RMSD bond angle1.366
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareREFMAC
Refinement softwareREFMAC (5.7.0029)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]53.8602.040
High resolution limit [Å]2.0002.000
Rmerge0.1690.549
Rpim0.1250.426
Number of reflections836094552
<I/σ(I)>6.22
Completeness [%]95.395.5
Redundancy3.13
CC(1/2)0.9650.675
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP72931.9 M ammonium sulphate, 0.1 M HEPES pH 7.0, 2% v/v PEG400

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