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6HXJ

Structure of ATP citrate lyase from Chlorobium limicola in complex with citrate and coenzyme A.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID30B
Synchrotron siteESRF
BeamlineID30B
Temperature [K]100
Detector technologyPIXEL
Collection date2017-11-21
DetectorDECTRIS PILATUS3 6M
Wavelength(s)0.97625
Spacegroup nameP 1 21 1
Unit cell lengths101.670, 134.930, 177.710
Unit cell angles90.00, 101.65, 90.00
Refinement procedure
Resolution47.550 - 2.580
R-factor0.185
Rwork0.183
R-free0.21600
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3PFF: Truncated human ATP citrate lyase
RMSD bond length0.010
RMSD bond angle1.170
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareBUSTER (2.10.2)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]47.5502.740
High resolution limit [Å]2.5802.580
Rmeas0.1111.765
Number of reflections14494522149
<I/σ(I)>9.150.86
Completeness [%]98.593.5
Redundancy3.33.2
CC(1/2)0.9970.361
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION829324% PEG Smear High 0.1 M Tris pH 8.0 Protein sample buffer: 20 mM Citrate pH 6.0 150 mM NaCl 10 mM CoASH

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