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3V1D

Crystal structure of de novo designed MID1-cobalt

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 23-ID-B
Synchrotron siteAPS
Beamline23-ID-B
Temperature [K]100
Detector technologyCCD
Collection date2011-04-26
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)0.9494
Spacegroup nameP 1
Unit cell lengths27.720, 45.451, 62.112
Unit cell angles90.04, 90.00, 90.00
Refinement procedure
Resolution36.668 - 1.239
R-factor0.1474
Rwork0.147
R-free0.19410
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1yzm
RMSD bond length0.012
RMSD bond angle1.323
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwarePHENIX ((phenix.refine: 1.7.3_927))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]36.6681.250
High resolution limit [Å]1.2391.240
Rmerge0.0680.429
Number of reflections81186
<I/σ(I)>18.12
Completeness [%]94.382.6
Redundancy2.52
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP62931-2 microliters protein (20 mg/ml, 100 mM ammonium acetate buffer) mixed with 1 microliter crystallization buffer (0.1 M MES pH 6.0, 30% PEG 200, 10% PEG 3000), VAPOR DIFFUSION, HANGING DROP, temperature 293K

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