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5L3O

Crystal Structure of Human Carbonic Anhydrase II in Complex with a Quinoline Oligoamide Foldamer

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID23-2
Synchrotron siteESRF
BeamlineID23-2
Temperature [K]100
Detector technologyCCD
Collection date2015-03-13
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)0.8726
Spacegroup nameC 1 2 1
Unit cell lengths158.880, 54.480, 84.920
Unit cell angles90.00, 112.79, 90.00
Refinement procedure
Resolution78.290 - 1.980
R-factor0.2081
Rwork0.207
R-free0.23570
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3ks3
RMSD bond length0.013
RMSD bond angle1.659
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0135)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]78.2902.100
High resolution limit [Å]1.9801.980
Rmerge0.1250.665
Number of reflections46107
<I/σ(I)>7.91.9
Completeness [%]98.192.5
Redundancy44
CC(1/2)0.994
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP4.6293NA acetate, PEG 4000, NaN3

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