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3LFO

Crystal structure of T. celer L30e E90A/R92A variant

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007
Temperature [K]110
Detector technologyIMAGE PLATE
Collection date2007-12-04
DetectorRIGAKU RAXIS IV
Wavelength(s)1.5418
Spacegroup nameP 1 21 1
Unit cell lengths23.913, 53.097, 33.466
Unit cell angles90.00, 108.57, 90.00
Refinement procedure
Resolution31.720 - 1.800
R-factor0.16701
Rwork0.165
R-free0.20385
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1h7m
RMSD bond length0.027
RMSD bond angle1.940
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]31.7201.900
High resolution limit [Å]1.8001.800
Rmerge0.0730.244
Number of reflections7279
<I/σ(I)>14.83.7
Completeness [%]98.196.3
Redundancy33
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP628918% PEG 3350, 0.1M sodium citrate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K

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