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3GWH

Crystallographic Ab Initio protein solution far below atomic resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsMACSCIENCE
Temperature [K]100
Detector technologyCCD
Collection date2008-08-22
DetectorBRUKER SMART 6000
Wavelength(s)1.5418
Spacegroup nameP 1 21 1
Unit cell lengths37.390, 65.750, 38.190
Unit cell angles90.00, 109.58, 90.00
Refinement procedure
Resolution35.980 - 1.950
R-factor0.198
Rwork0.195
R-free0.24100
Structure solution methodAB INITIO
RMSD bond length0.023
RMSD bond angle1.848
Data reduction softwareSAINT
Data scaling softwareTWINABS
Phasing softwareArcimboldo
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]35.9802.040
High resolution limit [Å]1.9501.950
Rmerge0.091
Number of reflections12855
<I/σ(I)>20.212.45
Completeness [%]99.696.8
Redundancy16.71.75
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP62932.4M (NH4)2SO4, 0.1M citric acid, pH6.0, vapor diffusion, sitting drop, temperature 293K, VAPOR DIFFUSION, SITTING DROP

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