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6FCX

Structure of human 5,10-methylenetetrahydrofolate reductase (MTHFR)

Experimental procedure
Experimental methodMAD
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Temperature [K]100
Detector technologyPIXEL
Collection date2017-01-14
DetectorDECTRIS PILATUS 6M-F
Wavelength(s)0.9281
Spacegroup nameP 21 21 21
Unit cell lengths97.337, 127.942, 147.015
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution63.971 - 2.500
R-factor0.2123
Rwork0.210
R-free0.24750
Structure solution methodMAD
RMSD bond length0.012
RMSD bond angle1.296
Data reduction softwareXDS
Data scaling softwareSCALA (3.3.22)
Phasing softwareSHELXCD
Refinement softwarePHENIX ((1.13_2998: ???))
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]96.51263.9712.640
High resolution limit [Å]2.5007.9102.500
Rmerge0.0501.362
Rmeas0.0930.0541.473
Rpim0.0340.0210.556
Total number of observations479094
Number of reflections47909422379272
<I/σ(I)>12.89.60.6
Completeness [%]100.099.7100
Redundancy7.56.87
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP277.150.1M Sodium Citrate tribasic, 22.5% PEG4K, 5% 2-propanol

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