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4XQN

Crystal structure of AgrA LytTR domain in complex with promoters

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE BM14
Synchrotron siteESRF
BeamlineBM14
Temperature [K]100
Detector technologyCCD
Collection date2013-07-08
DetectorMAR CCD 165 mm
Wavelength(s)0.95373
Spacegroup nameP 1
Unit cell lengths45.170, 61.320, 64.100
Unit cell angles91.09, 97.48, 94.02
Refinement procedure
Resolution44.690 - 2.300
R-factor0.21303
Rwork0.211
R-free0.24750
RMSD bond length0.009
RMSD bond angle1.461
Data reduction softwareSCALA
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0107)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]44.6902.380
High resolution limit [Å]2.2602.300
Rmerge0.560
Number of reflections29349
<I/σ(I)>12.62.7
Completeness [%]97.196.3
Redundancy3.93.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.62980.1M Sodium citrate tribasic dihydrate pH 5.6, 20% 2-propanol, 20% PEG 400

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