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7D33

The Pb2+ complexed structure of TBA G8C mutant

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL18U1
Synchrotron siteSSRF
BeamlineBL18U1
Temperature [K]100
Detector technologyCCD
Collection date2020-03-22
DetectorMARMOSAIC 325 mm CCD
Wavelength(s)0.9793
Spacegroup nameC 1 2 1
Unit cell lengths78.765, 51.941, 57.063
Unit cell angles90.00, 113.59, 90.00
Refinement procedure
Resolution25.338 - 2.117
R-factor0.2149
Rwork0.212
R-free0.23980
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)7d31
RMSD bond length0.005
RMSD bond angle0.751
Data reduction softwareHKL-3000
Data scaling softwareAimless (0.7.4)
Phasing softwarePHASER
Refinement softwarePHENIX (1.12_2829)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]37.37037.3702.230
High resolution limit [Å]2.1176.6902.120
Rmerge0.2390.1070.999
Rmeas0.2590.1171.082
Rpim0.0990.0460.412
Total number of observations238611669
Number of reflections228363941744
<I/σ(I)>6.712.62.4
Completeness [%]96.997.699.3
Redundancy6.76.16.7
CC(1/2)0.9900.9930.773
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP729110% v/v MPD, 40 mM sodium cacodylate pH 7.0, 28 mM spermine tetra-HCl, and 80 mM sodium chloride

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PDB entries from 2024-06-12

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