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9G38

CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH SALVIANOLIC ACID P

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU PhotonJet-R
Temperature [K]100
Detector technologyPIXEL
Collection date2023-05-10
DetectorRIGAKU HyPix-6000HE
Wavelength(s)1.54178
Spacegroup nameP 1 21 1
Unit cell lengths42.222, 41.268, 72.101
Unit cell angles90.00, 104.37, 90.00
Refinement procedure
Resolution34.950 - 1.200
R-factor0.13588
Rwork0.135
R-free0.15671
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.013
RMSD bond angle2.009
Data reduction softwareHKL-3000
Data scaling softwareSCALEPACK
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0425)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]34.9501.220
High resolution limit [Å]1.2001.200
Rmerge0.0530.201
Rmeas0.0630.258
Rpim0.0330.160
Number of reflections687623236
<I/σ(I)>24.1
Completeness [%]91.386.7
Redundancy2.72
CC(1/2)0.9980.914
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP82931.3 M sodium citrate, 60 mM Tris-HCl

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