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4CQF

Crystal structure of Schistosoma mansoni HDAC8 complexed with a mercaptoacetamide inhibitor

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007 HF
Temperature [K]110
Detector technologyCCD
Collection date2011-09-20
DetectorRIGAKU SATURN 944
Spacegroup nameP 1
Unit cell lengths70.778, 70.815, 98.024
Unit cell angles77.79, 75.45, 85.40
Refinement procedure
Resolution32.890 - 2.300
R-factor0.1922
Rwork0.190
R-free0.23230
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4bz6
RMSD bond length0.010
RMSD bond angle1.020
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareBUSTER (2.10.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.340
High resolution limit [Å]2.3002.300
Rmerge0.1100.340
Number of reflections80076
<I/σ(I)>15.24.2
Completeness [%]96.393.8
Redundancy3.83.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
10.2 M NA,K L-TARTRATE, 21% (W/V) PEG3350

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