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8Z52

Hen Egg-White Lysozyme (HEWL) complexed with Theophylline

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsBRUKER X8 PROTEUM
Temperature [K]100
Detector technologyPIXEL
Collection date2019-04-14
DetectorBruker PHOTON III
Wavelength(s)1.5
Spacegroup nameP 43 21 2
Unit cell lengths78.378, 78.378, 36.904
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution21.740 - 1.480
R-factor0.1815
Rwork0.178
R-free0.20880
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.004
RMSD bond angle0.690
Data reduction softwarePROTEUM PLUS
Data scaling softwarePROTEUM PLUS
Phasing softwarePHASER
Refinement softwarePHENIX (1.15.2_3472)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]22.1591.540
High resolution limit [Å]1.4801.480
Rmerge0.0930.811
Rmeas0.1010.929
Rpim0.0400.440
Number of reflections195193246
<I/σ(I)>11.51.8
Completeness [%]99.191.1
Redundancy6.34.5
CC(1/2)0.9980.183
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP293.150.1M Na-acetate pH 4.5, 6.5% (w/v) NaCl

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