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5BUS

O-succinylbenzoate Coenzyme A Synthetase (MenE) from Bacillus Subtilis, in complex with AMP

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL17U
Synchrotron siteSSRF
BeamlineBL17U
Temperature [K]100
Detector technologyCCD
Collection date2014-12-08
DetectorADSC QUANTUM 315r
Wavelength(s)0.973
Spacegroup nameP 43
Unit cell lengths121.811, 121.811, 98.013
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution38.520 - 2.603
R-factor0.1924
Rwork0.190
R-free0.23350
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5buq
RMSD bond length0.008
RMSD bond angle1.168
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHENIX
Refinement softwarePHENIX (1.9_1692)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]38.5202.696
High resolution limit [Å]2.6032.603
Rmerge0.1360.864
Number of reflections43794
<I/σ(I)>6.64.93
Completeness [%]99.599.34
Redundancy3.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.52890.1M HEPES pH7.5, 10% (w/v) PEG6000, 5% (v/v) MPD.

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