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4OT7

X-structure of a variant of NCR from zymomonas mobilis

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsBESSY BEAMLINE 14.1
Synchrotron siteBESSY
Beamline14.1
Temperature [K]100
Detector technologyPIXEL
Collection date2013-06-11
DetectorPSI PILATUS 6M
Wavelength(s)0.918
Spacegroup nameP 31 2 1
Unit cell lengths121.240, 121.240, 58.650
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution39.700 - 1.800
R-factor0.17044
Rwork0.170
R-free0.19553
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4a3u
RMSD bond length0.019
RMSD bond angle2.051
Data reduction softwareXDS
Data scaling softwareXSCALE
Refinement softwareREFMAC (5.7.0029)
Data quality characteristics
 Overall
Low resolution limit [Å]39.700
High resolution limit [Å]1.800
Rmerge0.068
Number of reflections46089
<I/σ(I)>22.49
Completeness [%]99.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.22920.1 M sodium citrate, 1.0 M lithium chloride, 21% PEG 6000, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 292K

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