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1P73

Crystal structure of EHV4-TK complexed with TP4A

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 14-BM-C
Synchrotron siteAPS
Beamline14-BM-C
Temperature [K]100
Wavelength(s)0.9
Spacegroup nameP 21 21 2
Unit cell lengths111.347, 118.293, 122.652
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.000

*

- 2.700
R-factor0.21889
Rwork0.213
R-free0.27600

*

Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1p72
RMSD bond length0.010
RMSD bond angle1.420
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.1.24)
Data quality characteristics
 OverallOuter shell
High resolution limit [Å]2.700
Rmerge0.097

*

0.378

*

Number of reflections45176
Completeness [%]98.4

*

91

*

Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7

*

298Ammonium sulfate, MES, Dioxane, pH 6.5, Vapor Diffusion, Hanging drop, microseeding, temperature 298K, VAPOR DIFFUSION, HANGING DROP
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11reservoirMES0.1 (M)pH6.5
101drop100 (mM)
111dropglycerol5 (%)
21reservoirammonium sulfate1.2 (M)
31reservoirdioxane5 (%)
41dropenzyme5.5 (mg/ml)
51dropTMP1.0 (mM)
61dropADP2.0 (mM)
71dropHEPES25 (mM)pH7.0
81drop5 (mM)
91dropdithiothreitol5 (mM)

227111

PDB entries from 2024-11-06

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