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1HE9

Crystal structure of the GAP domain of the Pseudomonas aeruginosa ExoS toxin

Experimental procedure
Experimental methodMAD
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE BM14
Synchrotron siteESRF
BeamlineBM14
Temperature [K]100
Detector technologyCCD
Collection date2000-07-15
DetectorMARRESEARCH
Wavelength(s)0.9789,0.9790,0.8856,1.54
Spacegroup nameC 2 2 21
Unit cell lengths42.897, 55.646, 107.472
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 2.400
R-factor0.257
Rwork0.257
R-free0.26500
Structure solution methodMAD
RMSD bond length0.019
RMSD bond angle21.700

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Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareSHARP
Refinement softwareCNS (1.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.490
High resolution limit [Å]2.4002.400
Rmerge0.053

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0.175

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Total number of observations68947

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Number of reflections5237
<I/σ(I)>348
Completeness [%]95.3

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98.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

*

7.5

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20

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used microseeding

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Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein20 (mg/ml)
21dropTris25 (mM)
31reservoirPEG600016 (%)
41reservoirammonium sulfate0.2 (M)
51reservoir10 (mM)
61reservoirsodium cacodylate100 (mM)

222624

PDB entries from 2024-07-17

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