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2XIF

The structure of ascorbate peroxidase Compound II

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04
Synchrotron siteDiamond
BeamlineI04
Temperature [K]100
Detector technologyCCD
Collection date2010-05-08
DetectorADSC CCD
Spacegroup nameP 42 21 2
Unit cell lengths82.030, 82.030, 75.190
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution27.690 - 1.650
R-factor0.14594
Rwork0.143
R-free0.19543
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1oaf
RMSD bond length0.014
RMSD bond angle2.296
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwareREFMAC
Refinement softwareREFMAC (5.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]27.6901.690
High resolution limit [Å]1.6501.650
Rmerge0.0700.420
Number of reflections29734
<I/σ(I)>12.12.11
Completeness [%]99.999.2
Redundancy3.62.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
18.3LISO4 2.25 M HEPES 0.1 M PH 8.3

221716

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