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4CK4

Ovine beta-Lactoglobulin at Atomic Resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSRS BEAMLINE PX14.2
Synchrotron siteSRS
BeamlinePX14.2
Temperature [K]100
Detector technologyCCD
Collection date2000-11-11
DetectorMARRESEARCH
Spacegroup nameP 1
Unit cell lengths37.148, 49.031, 49.053
Unit cell angles69.75, 69.08, 77.56
Refinement procedure
Resolution14.700 - 1.120
R-factor0.14078
Rwork0.139
R-free0.16942
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1gxa
RMSD bond length0.010
RMSD bond angle1.926
Data reduction softwareDENZO
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareREFMAC (5.7.0029)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]15.0001.140
High resolution limit [Å]1.1201.120
Rmerge0.0501.230
Number of reflections116059
<I/σ(I)>9.43.7
Completeness [%]92.389.4
Redundancy4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
15.60.2M SODIUM CITRATE, 0.1M SODIUM POTASSIUM TARTRATE, 2.0M AMMONIUM SULPHATE, PH 5.6

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