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7MLN

Crystal structure of ricin A chain in complex with 5-(o-tolyl)thiophene-2-carboxylic acid

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 31-ID
Synchrotron siteAPS
Beamline31-ID
Temperature [K]100
Detector technologyCCD
Collection date2020-07-07
DetectorRAYONIX MX225HE
Wavelength(s)0.9793
Spacegroup nameP 21 21 2
Unit cell lengths56.948, 124.410, 38.896
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution62.210 - 1.520
R-factor0.1898
Rwork0.189
R-free0.20730
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1rtc
RMSD bond length0.006
RMSD bond angle1.348
Data reduction softwareMOSFLM
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0258)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]62.2101.550
High resolution limit [Å]1.5201.520
Rpim0.0200.410
Number of reflections434332095
<I/σ(I)>14.81.6
Completeness [%]99.8
Redundancy7
CC(1/2)0.9900.650
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP29524 %(w/v) PEG 1500, 20 %(w/v) Glycerol

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