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3V3R

Crystal Structure of GES-11

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsENRAF-NONIUS FR591
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2011-11-02
DetectorMAR scanner 345 mm plate
Wavelength(s)1.5418
Spacegroup nameP 2 21 21
Unit cell lengths70.680, 85.240, 85.120
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 1.898
R-factor0.19398
Rwork0.192
R-free0.23168
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2qpn
RMSD bond length0.010
RMSD bond angle1.377
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHASER
Refinement softwareREFMAC (5.6.0119)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0001.920
High resolution limit [Å]1.8801.880
Rmerge0.523
Number of reflections40335
<I/σ(I)>8.982.35
Completeness [%]94.187.2
Redundancy43.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2930.1 M NA IODIDE, 30 % PEG 3350, 5 % GLYCEROL, pH none, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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