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3ZWQ

HYPERTHERMOPHILIC ESTERASE FROM THE ARCHEON PYROBACULUM CALIDIFONTIS

Replaces:  2WIR
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007
Temperature [K]120
Detector technologyCCD
Collection date2008-09-09
DetectorRIGAKU CCD
Spacegroup nameP 21 21 2
Unit cell lengths61.919, 127.271, 93.727
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution127.000 - 2.000
R-factor0.20667
Rwork0.205
R-free0.23580
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2c7b
RMSD bond length0.009
RMSD bond angle1.149
Data reduction softwared*TREK
Data scaling softwared*TREK
Phasing softwarePHASER
Refinement softwareREFMAC (5.5.0109)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]44.0002.070
High resolution limit [Å]2.0002.000
Rmerge0.0600.400
Number of reflections46646
<I/σ(I)>16.72
Completeness [%]91.759
Redundancy6.72.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
18.52 UL PROTEIN (IN 20 MM TRIS PH 8.0) PLUS 2 UL RESERVOIR (30% MPD, 10% PEG 6000, 0.1 M NAOAC).

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