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7TNB

Caulobacter segnis arene reductase (CSAR) - WT

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS-II BEAMLINE 17-ID-1
Synchrotron siteNSLS-II
Beamline17-ID-1
Temperature [K]100
Detector technologyPIXEL
Collection date2018-12-01
DetectorDECTRIS EIGER X 9M
Wavelength(s)0.9201
Spacegroup nameC 2 2 21
Unit cell lengths46.470, 104.175, 144.328
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution29.678 - 1.790
Rwork0.153
R-free0.18590
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)6myw
RMSD bond length0.011
RMSD bond angle1.592
Data reduction softwareXDS (BUILT=20180808)
Data scaling softwareAimless (0.7.3)
Phasing softwarePHASER (2.8.1)
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]29.6801.830
High resolution limit [Å]1.7901.790
Rmerge0.1471.390
Rmeas0.1591.513
Rpim0.0600.589
Number of reflections334992315
<I/σ(I)>12.9
Completeness [%]99.897.3
Redundancy13.3
CC(1/2)0.9980.745
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.6293Crystal Screen #20: 0.2 M Ammonium sulfate, 0.1 M Sodium acetate trihydrate pH 4.6, 25% w/v Polyethylene glycol 4,000 Protein dissolved in 100 mM KPi, pH 7.5

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