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3R6Q

A triclinic-lattice structure of aspartase from Bacillus sp. YM55-1

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-1
Synchrotron siteESRF
BeamlineID14-1
Temperature [K]100
Detector technologyCCD
Collection date2009-09-25
DetectorADSC QUANTUM 210
Wavelength(s)0.9334
Spacegroup nameP 1
Unit cell lengths75.594, 118.194, 140.226
Unit cell angles89.85, 89.59, 76.51
Refinement procedure
Resolution39.560 - 2.400
R-factor0.2014
Rwork0.199
R-free0.25280
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1j3u
RMSD bond length0.010
RMSD bond angle1.211
Data reduction softwareXDS
Data scaling softwareSCALA (3.3.9)
Phasing softwareMOLREP
Refinement softwareREFMAC (5.5.0102)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]140.22248.2342.530
High resolution limit [Å]2.4007.5902.400
Rmerge0.0200.246
Total number of observations871040425
Number of reflections161833
<I/σ(I)>10.222.63.1
Completeness [%]87.680.589.9
Redundancy1.71.91.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP72770.25 M NaSCN, 10 mM CaCl2, 0.1 M HEPES, pH 7.0, 20% PEG3350, vapor diffusion, hanging drop, temperature 277K

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