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Cocktail experiment B: fragments 224 and 236 at 50mM concentration

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsBESSY BEAMLINE 14.2
Synchrotron siteBESSY
Beamline14.2
Temperature [K]100
Detector technologyCCD
Collection date2010-06-24
DetectorRAYONIX MX-225
Wavelength(s)0.91841
Spacegroup nameP 1 21 1
Unit cell lengths45.398, 72.858, 52.710
Unit cell angles90.00, 109.46, 90.00
Refinement procedure
Resolution18.926 - 1.299
R-factor0.1304
Rwork0.129
R-free0.14970
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4y5l
RMSD bond length0.006
RMSD bond angle0.908
Data reduction softwareHKL-2000
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwarePHENIX ((1.10.1_2155: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0001.320
High resolution limit [Å]1.3001.300
Rmerge0.0520.520
Number of reflections78870
<I/σ(I)>22.32
Completeness [%]99.999.3
Redundancy3.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP4.62900.1 M ammonium acetate, 0.1 M sodium acetate, PEG 4000; crystals obtained by streak-seeding

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