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5XEJ

Crystal Structure of Macrophage Migration Inhibitory Factor bound to MTX

Replaces:  5CG4
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL32B2
Synchrotron siteSPring-8
BeamlineBL32B2
Temperature [K]100
Detector technologyCCD
Collection date2006-09-27
DetectorRIGAKU JUPITER 210
Wavelength(s)1.0
Spacegroup nameP 31 2 1
Unit cell lengths95.758, 95.758, 104.154
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution83.050 - 2.500
R-factor0.1829
Rwork0.180
R-free0.22720
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2gdg
RMSD bond length0.018
RMSD bond angle2.023
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0158)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]100.0002.590
High resolution limit [Å]2.5005.3902.500
Rmerge0.0960.0580.339
Total number of observations175439
Number of reflections19607
<I/σ(I)>8.4
Completeness [%]100.099.8100
Redundancy8.98.19.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.52980.1M HEPES(pH7.5), 65% Sat. AS, 2% PEG400

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