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4OG4

Human menin with bound inhibitor MIV-3S

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-D
Synchrotron siteAPS
Beamline21-ID-D
Detector technologyCCD
Collection date2011-10-09
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)1.0331
Spacegroup nameP 21 21 21
Unit cell lengths48.915, 80.207, 124.659
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution38.480 - 1.450
R-factor0.16295
Rwork0.162
R-free0.18856
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4gpq
RMSD bond length0.018
RMSD bond angle1.996
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareREFMAC (5.7.0032)
Data quality characteristics
 Overall
Low resolution limit [Å]38.480
High resolution limit [Å]1.450
Rmerge0.087
Number of reflections87254
<I/σ(I)>36.5
Completeness [%]100.0
Redundancy7.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP82830.2 M ammonium acetate, 0.1 M HEPES pH 7.5 and 25% w/v PEG 3,350. This solution was mixed 1:1 with 2.5mg/mL protein in 50mM Tris-HCl (pH 8.0), 50mM NaCl, and 1mM TCEP. Prior to data collection, crystals were transferred into a cryo-solution containing 20% PEG550 MME and flash-frozen in liquid nitrogen, VAPOR DIFFUSION, SITTING DROP, temperature 283K

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