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3I7U

Crystal structure of AP4A hydrolase (aq_158) from Aquifex aeolicus VF5

Replaces:  2PBT
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL26B2
Synchrotron siteSPring-8
BeamlineBL26B2
Temperature [K]100
Detector technologyCCD
Collection date2006-10-08
DetectorRIGAKU JUPITER 210
Wavelength(s)1.0
Spacegroup nameP 1 21 1
Unit cell lengths85.589, 38.049, 87.592
Unit cell angles90.00, 93.10, 90.00
Refinement procedure
Resolution43.730 - 1.800
R-factor0.203
Rwork0.203
R-free0.23900
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1vcd
RMSD bond length0.005
RMSD bond angle1.200
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareCNS (1.2)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.860
High resolution limit [Å]1.8001.800
Rmerge0.0360.227
Total number of observations270072
Number of reflections52495
Completeness [%]99.597.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.62930.1M Tris-Hcl, 29% PEG 3350, 0.75M NaCl, pH 7.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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