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4XRR

Crystal structure of cals8 from micromonospora echinospora (P294S mutant)

Replaces:  4WB1
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-BM
Synchrotron siteAPS
Beamline19-BM
Temperature [K]100
Detector technologyCCD
Collection date2013-06-13
DetectorADSC QUANTUM 210r
Wavelength(s)0.9793
Spacegroup nameP 1 21 1
Unit cell lengths70.392, 88.200, 70.936
Unit cell angles90.00, 103.41, 90.00
Refinement procedure
Resolution37.160 - 2.550
R-factor0.1853
Rwork0.183
R-free0.22470
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3gg2
RMSD bond length0.010
RMSD bond angle0.810
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwareMR-Rosetta
Refinement softwareBUSTER (2.8.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.0002.590
High resolution limit [Å]2.5502.550
Rmerge0.1600.930
Number of reflections27596
<I/σ(I)>10.61.74
Completeness [%]99.9100
Redundancy3.83.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP82970.1 M magnesium formate, 15% PEG 3350, pH 8.0, Temperature 297K

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