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2NOW

An unusual twin-His arrangement in the pore of ammonia channels is essential for substrate conductance

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06SA
Synchrotron siteSLS
BeamlineX06SA
Temperature [K]100
Detector technologyCCD
Collection date2006-08-14
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)0.97625
Spacegroup nameP 63
Unit cell lengths110.074, 110.074, 84.619
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution15.000 - 2.200
R-factor0.16276
Rwork0.161
R-free0.19463
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1xqf
RMSD bond length0.012
RMSD bond angle1.435
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareMOLREP
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.300
High resolution limit [Å]2.2002.200
Number of reflections29401
<I/σ(I)>19.963.19
Completeness [%]99.099.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP4.629825% PEG 400, 0.1M SODIUM ACETATE, 0.2M AMMONIUM SULFATE, PH 4.6, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K, pH 4.60

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