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6V7J

The C2221 crystal form of canavalin at 173 K

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 8.3.1
Synchrotron siteALS
Beamline8.3.1
Temperature [K]173
Detector technologyPIXEL
Collection date2018-06-15
DetectorDECTRIS PILATUS3 R CdTe 300K
Wavelength(s)1.0
Spacegroup nameC 2 2 21
Unit cell lengths136.347, 149.247, 128.046
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution50.010 - 2.000
R-factor0.1982
Rwork0.196
R-free0.24740
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1cax
RMSD bond length0.006
RMSD bond angle1.345
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0253)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0102.030
High resolution limit [Å]2.0002.000
Rmerge0.164
Rmeas0.176
Rpim0.052
Number of reflections722462336
<I/σ(I)>5.80.6
Completeness [%]82.043.4
Redundancy9.24.6
CC(1/2)0.9930.133
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.5298Vapor diffusion in Cryschem sitting drop plates at room temperature. Reservoirs were Dulbeccos Phosphate buffered saline at pH 6.5. Drops were equal amounts of the reservoir and a 40 mg/ml solution of the protein dissolved in water with a trace of ammonium hydroxide. Crystallization time was 24 to 48 hours.

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