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2AL0

Crystal structure of nitrophorin 2 ferrous aqua complex

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 14-BM-C
Synchrotron siteAPS
Beamline14-BM-C
Temperature [K]100
Detector technologyCCD
Collection date2004-08-04
DetectorADSC QUANTUM 315
Wavelength(s)0.9000
Spacegroup nameP 41 21 2
Unit cell lengths34.405, 34.405, 255.181
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution23.000 - 1.600
R-factor0.18449
Rwork0.182
R-free0.22927
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)1pee
RMSD bond length0.021
RMSD bond angle1.893
Data reduction softwareXDISPLAYF
Data scaling softwared*TREK
Refinement softwareREFMAC (5.2.0003)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]23.0001.660
High resolution limit [Å]1.6001.600
Number of reflections21168
<I/σ(I)>212.6
Completeness [%]97.097
Redundancy4.83.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.5298sodium citrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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