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6OT9

Bimetallic dodecameric cage design 1 (BMC1) from cytochrome cb562

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL12-2
Synchrotron siteSSRL
BeamlineBL12-2
Temperature [K]100
Detector technologyPIXEL
Collection date2018-04-13
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.98008
Spacegroup nameH 3 2
Unit cell lengths125.640, 125.640, 166.350
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution36.270 - 2.400
R-factor0.2228
Rwork0.217
R-free0.27180
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3m4b
RMSD bond length0.009
RMSD bond angle1.036
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwarePHENIX (1.13_2998)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]39.92039.9202.460
High resolution limit [Å]2.40010.7302.400
Rmerge0.1850.0732.986
Rmeas0.1950.0773.146
Rpim0.061
Number of reflections382454272875
<I/σ(I)>8.127.710.96
Completeness [%]99.897.3100
Redundancy10.299.4410.072
CC(1/2)0.9980.9970.501
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.5298Protein solution: 2.1 mM protein, 1.05 mM Fe, 2 mM Zn added 1 hour prior to crystallisation. 1 ul + 1ul drops from protein solution and following mother liquor; 22.5% PEG400, 0.1 M HEPES pH 7.5, 0.2 M NaCl

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PDB entries from 2024-07-17

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