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7AM4

Crystal structure of Peptiligase mutant - L217H/M222P

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsBRUKER AXS MICROSTAR-H
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2019-01-08
DetectorMARRESEARCH
Wavelength(s)1.5418
Spacegroup nameP 41 21 2
Unit cell lengths58.371, 58.371, 125.288
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution42.700 - 1.810
R-factor0.1377
Rwork0.136
R-free0.17180
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)D1292111488
RMSD bond length0.010
RMSD bond angle1.595
Data reduction softwareXDS
Data scaling softwareAimless (0.7.3)
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0258)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]42.7001.850
High resolution limit [Å]1.8101.810
Rmerge0.0570.288
Rmeas0.0620.312
Rpim0.0220.118
Number of reflections205641127
<I/σ(I)>23.8
Completeness [%]99.794.9
Redundancy7.66.8
CC(1/2)0.9990.959
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.52981.6 magnesium sulfate, 0.1 M MES

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