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4DLF

Crystal structure of an amidohydrolase (COG3618) from burkholderia multivorans (TARGET EFI-500235) with bound ZN, space group P3221

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X29A
Synchrotron siteNSLS
BeamlineX29A
Temperature [K]100
Detector technologyCCD
Collection date2011-10-15
DetectorADSC QUANTUM 315r
Wavelength(s)0.9793
Spacegroup nameP 32 2 1
Unit cell lengths75.300, 75.300, 142.450
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution38.386 - 1.925
R-factor0.1944
Rwork0.193
R-free0.22820
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4dnm
RMSD bond length0.012
RMSD bond angle1.082
Data reduction softwareMOSFLM
Data scaling softwareSCALA (3.3.16)
Phasing softwarePHENIX
Refinement softwarePHENIX (1.7.3_928)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]65.21238.3862.030
High resolution limit [Å]1.9256.0901.920
Rmerge0.0210.021
Total number of observations706829620
Number of reflections36087
<I/σ(I)>7.310.50.4
Completeness [%]99.898.399.9
Redundancy5.95.75.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1sitting drop vapor diffuction7.5298Protein (10 mM Hepes, pH 7.8, 150 mM NaCl, 10% glycerol, 0.5 mM ZnCl, 0.5 mM D-arabonate-1,4-lactone; Reservoir (20% Peg3350, 100 mM HEPES pH 7.5); Cryoprotection (Reservoir, 5 mM Zn, 25 mM D-arabonate-1,4-lactone, 20% glycerol), sitting drop vapor diffuction, temperature 298K

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