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4AX6

HYPOCREA JECORINA CEL6A D221A MUTANT SOAKED WITH 6-CHLORO-4- PHENYLUMBELLIFERYL-BETA-CELLOBIOSIDE

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-1
Synchrotron siteESRF
BeamlineID14-1
Temperature [K]100
Detector technologyCCD
DetectorADSC QUANTUM 210
Spacegroup nameP 1
Unit cell lengths49.540, 52.960, 66.540
Unit cell angles77.33, 78.60, 75.66
Refinement procedure
Resolution64.170 - 2.300
R-factor0.20643
Rwork0.204
R-free0.25448
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1hgy
RMSD bond length0.006
RMSD bond angle0.984
Data reduction softwareXDS
Data scaling softwareSCALA
Refinement softwareREFMAC (5.6.0117)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]35.7002.300
High resolution limit [Å]2.2002.200
Rmerge0.2000.440
Number of reflections31621
<I/σ(I)>6.73.2
Completeness [%]98.397.9
Redundancy3.83.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1620% PEG 5000 MONOMETHYL ETHER (FLUKA) AND 20 MM SODIUM MES BUFFER, PH 6.0

217705

PDB entries from 2024-03-27

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