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1PEE

Crystal Structure of Nitrophorin 2 complex with imidazole

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL11-1
Synchrotron siteSSRL
BeamlineBL11-1
Temperature [K]100
Detector technologyCCD
Collection date2002-05-07
DetectorADSC QUANTUM 315
Wavelength(s)0.827
Spacegroup nameP 41 21 2
Unit cell lengths34.680, 34.680, 258.780
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution34.000 - 1.500
R-factor0.18831
Rwork0.186
R-free0.23980
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1euo
RMSD bond length0.020
RMSD bond angle1.917
Data scaling softwared*TREK
Phasing softwareMOLREP (V. 7.3)
Refinement softwareREFMAC (5.1.22)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]34.0001.550
High resolution limit [Å]1.5001.500
Rmerge0.0540.125
Number of reflections19111
<I/σ(I)>26.21
Completeness [%]74.043.4
Redundancy4.11.84
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.52981.6 M sodium citrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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