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1V0V

Phospholipase D from Streptomyces sp. strain PMF soaked with the substrate dibutyrylphosphatidylcholine.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-4
Synchrotron siteESRF
BeamlineID14-4
Temperature [K]100
Detector technologyCCD
DetectorADSC CCD
Spacegroup nameP 1 21 1
Unit cell lengths57.450, 56.750, 68.540
Unit cell angles90.00, 93.39, 90.00
Refinement procedure
Resolution69.010 - 1.700
R-factor0.164
Rwork0.162
R-free0.20800
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)BASED ON PDB ENTRY 1F0I
RMSD bond length0.019
RMSD bond angle2.000
Data reduction softwareDENZO
Data scaling softwareSCALA
Phasing softwareCNS
Refinement softwareREFMAC (5.1.24)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]69.0101.790
High resolution limit [Å]1.7001.700
Rmerge0.0640.136
Number of reflections41858
<I/σ(I)>6.54.9
Completeness [%]90.764.1
Redundancy3.31.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
15.40.2 M NH4AC, 0.1 M CITRATE PHOSPHATE BUFFER AT PH5.4, 27.5% PEG 4000. CRYSTALS WERE THEREAFTER BACKSOAKED TWICE IN A PHOSPHATE- FREE BUFFER TO REMOVE TRACE-AMOUNTS OF PHOSPHATE., pH 5.40

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