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4OKF

RNase S in complex with an artificial peptide

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsBRUKER AXS MICROSTAR
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2012-10-16
DetectorMAR scanner 345 mm plate
Wavelength(s)1.5418
Spacegroup nameP 31 2 1
Unit cell lengths43.800, 43.800, 96.700
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution24.590 - 1.540
R-factor0.17148
Rwork0.171
R-free0.20955
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)2rns
RMSD bond length0.019
RMSD bond angle1.972
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareREFMAC (5.7.0029)
Refinement softwareREFMAC (5.7.0029)
Data quality characteristics
 Overall
Low resolution limit [Å]24.600
High resolution limit [Å]1.540
Rmerge0.053
Number of reflections16225
<I/σ(I)>30.62
Completeness [%]97.5
Redundancy8.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.12920.1 M sodium citrate, 2.4 M ammoniumsulfate, pH 4.1, VAPOR DIFFUSION, HANGING DROP, temperature 292K

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