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4OB9

Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.50A resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE BM14
Synchrotron siteESRF
BeamlineBM14
Temperature [K]77
Detector technologyCCD
Collection date2013-08-13
DetectorMARRESEARCH
Wavelength(s)0.97
Spacegroup nameP 21 2 21
Unit cell lengths72.980, 89.790, 108.380
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution50.190 - 2.500
R-factor0.22036
Rwork0.218
R-free0.26425
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4lj2
RMSD bond length0.014
RMSD bond angle1.848
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareAMoRE
Refinement softwareREFMAC (5.6.0117)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]108.3802.550
High resolution limit [Å]2.5002.500
Number of reflections23133
<I/σ(I)>5.91.8
Completeness [%]92.094
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP829850mM Tris-HCl, 0.2M MgCl2, 20% PEG3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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