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3KIP

Crystal structure of type-II 3-dehydroquinase from C. albicans

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06SA
Synchrotron siteSLS
BeamlineX06SA
Temperature [K]100
Collection date2006
Wavelength(s)1.000
Spacegroup nameP 21 21 2
Unit cell lengths159.103, 308.110, 97.152
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution70.680 - 2.950
R-factor0.205
Rwork0.203
R-free0.24500
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)a 3D EM reconstruction at 15 A resolution
RMSD bond length0.025
RMSD bond angle2.271
Data reduction softwareMOSFLM
Data scaling softwareSCALA (3.3.9)
Phasing softwareAMoRE
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]70.6803.110
High resolution limit [Å]2.9502.950
Number of reflections101228
<I/σ(I)>4.31.4
Completeness [%]99.9100
Redundancy6.46.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP729314% PEG 8000 (w/v), LiSO4 0.2 M, Hepes buffer 0.1 M, pH 7.0, sitting drop, temperature 293K, VAPOR DIFFUSION, SITTING DROP

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