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6P4U

The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module in complex with Mg and AMP

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-ID
Synchrotron siteAPS
Beamline19-ID
Temperature [K]100
Detector technologyCCD
Collection date2016-07-01
DetectorADSC QUANTUM 315r
Wavelength(s)0.9792
Spacegroup nameC 1 2 1
Unit cell lengths154.232, 90.828, 98.463
Unit cell angles90.00, 106.10, 90.00
Refinement procedure
Resolution46.080 - 2.100
R-factor0.2096
Rwork0.208
R-free0.23730
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)6oyf
RMSD bond length0.002
RMSD bond angle0.484
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwareHKL-3000
Refinement softwarePHENIX (1.13_2998)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]46.1002.140
High resolution limit [Å]2.1002.100
Rmerge0.0530.652
Rmeas0.0620.773
Rpim0.408
Number of reflections735083126
<I/σ(I)>22.61.12
Completeness [%]96.382.2
Redundancy3.63.2
CC(1/2)0.717
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.52891.6 M Magnesium sulfate, 0.1 M MES:NaOH

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