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2FCM

X-ray Crystal Structure of a Chemically Synthesized [D-Gln35]Ubiquitin with a Cubic Space Group

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 17-ID
Synchrotron siteAPS
Beamline17-ID
Temperature [K]100
Detector technologyCCD
Collection date2004-11-22
DetectorADSC QUANTUM 210
Wavelength(s)1.0000
Spacegroup nameP 43 3 2
Unit cell lengths105.532, 105.532, 105.532
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 2.200
R-factor0.25443
Rwork0.249
R-free0.28286
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1yiw CHAIN B
RMSD bond length0.014
RMSD bond angle1.374
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.1.9999)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.280
High resolution limit [Å]2.2002.200
Rmerge0.0330.530
Number of reflections10688
<I/σ(I)>47.33.4
Completeness [%]99.5100
Redundancy8.58.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.75298by mixing 2 ul of ubiquitin solution (20 mg/ml) and 0.5 ul of crystallization buffer solution. The crystallization buffer was prepared by mixing 3ml of HEPES buffer (0.1M), 3ml of poly(ethylene glycol) 3350 (25%, w/v), and 0.2ml of 1M cadmium acetate., pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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