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3E5O

Carbonmonoxy Sperm Whale Myoglobin at 140 K: Laser off

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPHOTON FACTORY BEAMLINE AR-NW14A
Synchrotron sitePhoton Factory
BeamlineAR-NW14A
Temperature [K]140
Detector technologyCCD
Collection date2008-02-20
DetectorMAR CCD 165 mm
Wavelength(s)0.827
Spacegroup nameP 1 21 1
Unit cell lengths34.343, 30.613, 63.785
Unit cell angles90.00, 105.86, 90.00
Refinement procedure
Resolution17.010 - 1.210
R-factor0.158
Rwork0.156
R-free0.20900
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1mbc
RMSD bond length0.029
RMSD bond angle2.394
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0001.250
High resolution limit [Å]1.2102.6101.210
Rmerge0.0520.0230.477
Number of reflections35428
<I/σ(I)>8.6
Completeness [%]89.49835.8
Redundancy3.43.61.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1batch62932.4M Ammonium sulfate, 10mM TrisHCl, 100mM Sodium phosphate, pH 6.0, batch, temperature 293K

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