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1H4H

Oligosaccharide-binding to family 11 xylanases: both covalent intermediate and mutant-product complexes display 2,5B conformations at the active-centre

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-4
Synchrotron siteESRF
BeamlineID14-4
Temperature [K]120
Spacegroup nameP 1 21 1
Unit cell lengths74.344, 78.895, 76.273
Unit cell angles90.00, 91.93, 90.00
Refinement procedure
Resolution20.000 - 1.900
R-factor0.18

*

Rwork0.184
R-free0.24000

*

Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1qh6
RMSD bond length0.018

*

RMSD bond angle0.043

*

Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0001.930
High resolution limit [Å]1.9001.900
Rmerge0.0510.157
Number of reflections53623
<I/σ(I)>21.55
Completeness [%]77.7

*

23.9
Redundancy4.61.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

*

6.5289

*

DROP: 1UL PROTEIN (27 MG ML-1) PLUS 1UL RESERVOIR RESERVOIR: 100 MM MES PH 6.5, 0.8M K2HPO4.3H20/NAH2PO4, 10% MPD
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11reservoir0.8 (M)
21reservoirMPD10 (%(v/v))
31reservoirMES100 (mM)pH6.5
41dropprotein27 (mg/ml)in H2O

227111

PDB entries from 2024-11-06

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