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5XKV

structure of sperm whale myoglobin F138W

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL19U1
Synchrotron siteSSRF
BeamlineBL19U1
Temperature [K]90
Detector technologyCCD
Collection date2016-12-31
DetectorRIGAKU
Wavelength(s)0.987
Spacegroup nameP 21 21 21
Unit cell lengths39.766, 48.441, 78.898
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution35.540 - 1.400
R-factor0.16326
Rwork0.162
R-free0.19016
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5hlu
RMSD bond length0.023
RMSD bond angle2.326
Data reduction softwareHKL-3000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareREFMAC (5.7.0032)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.420
High resolution limit [Å]1.4001.400
Number of reflections305591312
<I/σ(I)>23.9
Completeness [%]98.985
Redundancy5.34.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2930.2 M Sodium acetate trihydrate, 0.1 M Sodium cacodylate trihydrate pH 6.5, 30% w/v Polyethylene glycol 8000

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