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8GKT

Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF320 inhibitor

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 4.2.2
Synchrotron siteALS
Beamline4.2.2
Temperature [K]100
Detector technologyCMOS
Collection date2019-09-18
DetectorRDI CMOS_8M
Wavelength(s)1.000
Spacegroup nameP 65 2 2
Unit cell lengths158.196, 158.196, 207.279
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution48.645 - 2.640
R-factor0.203
Rwork0.201
R-free0.24670
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.004
RMSD bond angle0.725
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwarePHENIX (1.13-2998)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]48.6502.730
High resolution limit [Å]2.6402.640
Rmerge0.3452.576
Rmeas0.3592.719
Rpim0.1000.860
Number of reflections455644369
<I/σ(I)>8.40.9
Completeness [%]100.0100
Redundancy12.59.7
CC(1/2)0.9900.389
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1BATCH MODE7.527720 mM sodium phosphate pH 7.5, 100 mM NaCl, 0.2 mM EDTA, and 0.5 mM TCEP and PLP loaded His-SHMT2 concentrated to 0.01 to 0.02 mM

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