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6L5X

Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 95 K: Light (2 min)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron sitePhoton Factory
BeamlineAR-NW12A
Temperature [K]95
Detector technologyPIXEL
Collection date2018-11-23
DetectorDECTRIS PILATUS3 S 2M
Wavelength(s)1.0
Spacegroup nameP 21 21 21
Unit cell lengths61.030, 96.401, 100.026
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.735 - 1.650
R-factor0.1753
Rwork0.173
R-free0.20730
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1bbb
RMSD bond length0.008
RMSD bond angle1.122
Data reduction softwareCrysalisPro
Data scaling softwareAimless (0.2.7)
Phasing softwarePHASER
Refinement softwarePHENIX (dev_1839)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]19.73519.7301.710
High resolution limit [Å]1.6506.1701.650
Rmerge0.0930.0710.564
Rmeas0.1020.0780.616
Rpim0.0400.0310.246
Total number of observations886745514
Number of reflections7166014677425
<I/σ(I)>12.422.83
Completeness [%]99.996.8100
Redundancy6.466.1
CC(1/2)0.9960.9940.882
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1MICROBATCH5.829318%w/v PEG 6000, 100 mM sodium cacodylate-hydrochloride buffer, 10%v/v glycerol

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