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4IA8

Crystal Structure of a Y37A mutant of the Restriction-Modification Controller Protein C.Esp1396I

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Temperature [K]100
Detector technologyPIXEL
Collection date2011-10-22
DetectorDECTRIS PILATUS 2M
Wavelength(s)0.917285
Spacegroup nameP 1
Unit cell lengths34.260, 34.280, 41.120
Unit cell angles104.44, 108.92, 97.42
Refinement procedure
Resolution31.550 - 1.850
R-factor0.1769
Rwork0.175
R-free0.22020
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3g5g
RMSD bond length0.018
RMSD bond angle1.732
Data reduction softwareMOSFLM
Data scaling softwareAimless (0.1.26)
Phasing softwarePHASER (2.5.1)
Refinement softwarePHENIX (1.8_1069)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]31.55031.5501.890
High resolution limit [Å]1.8509.0601.850
Rmerge0.1190.0110.011
Total number of observations4732927
Number of reflections13243
<I/σ(I)>5.8141.5
Completeness [%]75.095.879.1
Redundancy1.92.11.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.52770.2 M lithium sulfate, 0.1 M sodium acetate, 50 % v/v PEG 400, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

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