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6CBF

Macrophage Migration Inhibitory Factor in Complex with a Pyrazole Inhibitor (6a)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007 HF
Temperature [K]100
Detector technologyCCD
Collection date2014-09-22
DetectorRIGAKU SATURN 944+
Wavelength(s)1.5418
Spacegroup nameP 21 21 21
Unit cell lengths68.305, 68.310, 83.309
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution52.820 - 2.300
R-factor0.23737
Rwork0.232
R-free0.28192
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle1.344
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0135)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]52.8202.360
High resolution limit [Å]2.3002.300
Number of reflections17430
<I/σ(I)>16.23
Completeness [%]97.0
Redundancy6.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.52932.4M ammonium sulfate, 3% isopropanol, 0.1M Tris pH 6.5

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