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6WED

Copper-bound E44Q variant of Campylobacter jejuni P19

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007 HF
Temperature [K]100
Detector technologyCCD
Collection date2018-10-22
DetectorRIGAKU SATURN 944+
Wavelength(s)1.5418
Spacegroup nameP 21 21 2
Unit cell lengths55.347, 73.336, 78.957
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution28.506 - 1.900
R-factor0.1776
Rwork0.174
R-free0.22180
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3lzl
Data reduction softwareDENZO
Data scaling softwareHKL-3000
Phasing softwarePHASER
Refinement softwarePHENIX (1.14_3260)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0001.930
High resolution limit [Å]1.9005.1601.900
Rmerge0.0860.0420.515
Rmeas0.0930.0460.598
Rpim0.0350.0180.294
Total number of observations173279
Number of reflections2579014311138
<I/σ(I)>8
Completeness [%]99.299.188.8
Redundancy6.76.63.5
CC(1/2)0.9990.850
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.52980.1 M BisTris pH 6.5, 20% PEG 550, and 40 mM CaCl2 dihydrate

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