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4U02

Crystal structure of apo-TTHA1159

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007 HF
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2012-12-10
DetectorRIGAKU RAXIS IV++
Wavelength(s)1.5418
Spacegroup nameP 1 21 1
Unit cell lengths53.669, 130.131, 74.972
Unit cell angles90.00, 93.82, 90.00
Refinement procedure
Resolution31.225 - 2.399
R-factor0.2035
Rwork0.201
R-free0.25000
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.003
RMSD bond angle0.762
Refinement softwarePHENIX ((phenix.refine: 1.7.3_928))
Data quality characteristics
 Overall
Low resolution limit [Å]50.000
High resolution limit [Å]2.390
Number of reflections38334
<I/σ(I)>29.2
Completeness [%]99.9
Redundancy3.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.52950.1M MES, 0.2M Ammonium chloride, 20% PEG 6000

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