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1TZP

MEPA, inactive form without ZN in P21

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsMPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron siteMPG/DESY, HAMBURG
BeamlineBW6
Temperature [K]100
Detector technologyCCD
Collection date2004-04-26
DetectorMARRESEARCH
Wavelength(s)1.05
Spacegroup nameP 1 21 1
Unit cell lengths45.949, 115.143, 49.154
Unit cell angles90.00, 94.08, 90.00
Refinement procedure
Resolution19.730 - 1.400
R-factor0.18447
Rwork0.183
R-free0.20610
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)A partial model of MEPA in a different crystal form
RMSD bond length0.013
RMSD bond angle1.514
Data reduction softwareMOSFLM
Data scaling softwareCCP4 ((SCALA))
Phasing softwareMOLREP
Refinement softwareREFMAC (5.1.24)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0001.480
High resolution limit [Å]1.4001.400
Rmerge0.0360.129
Number of reflections91010
<I/σ(I)>105.5
Completeness [%]91.394.3
Redundancy3.53.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.5293ammonium sulfate, MES, PEG monomethyl ether 5000, 1,4-butanediol, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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