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2OBA

Pseudomonas aeruginosa 6-pyruvoyl tetrahydrobiopterin synthase

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 17-ID
Synchrotron siteAPS
Beamline17-ID
Temperature [K]100
Detector technologyCCD
Collection date2006-10-07
DetectorADSC QUANTUM 210
Wavelength(s)1
Spacegroup nameP 21 21 21
Unit cell lengths76.082, 87.521, 124.670
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution42.220 - 2.330
R-factor0.189
Rwork0.186
R-free0.25600
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1b66
RMSD bond length0.014
RMSD bond angle1.488
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]42.22050.0002.400
High resolution limit [Å]2.3205.0002.320
Rmerge0.0400.0250.251
Number of reflections33806
<I/σ(I)>14.1
Completeness [%]98.494.594.8
Redundancy3.33.23.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP92980.2M lithium sulphate, 0.1M Tris HCl, 30% PEG3000 frozen in 70%paratone/30% mineral oil, pH 9, VAPOR DIFFUSION, SITTING DROP, temperature 298K

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