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1MZ6

Trypanosoma rangeli sialidase in complex with the inhibitor DANA

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsLURE BEAMLINE D41A
Synchrotron siteLURE
BeamlineD41A
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date1997-11-27
DetectorMARRESEARCH
Wavelength(s)1.375
Spacegroup nameP 21 21 21
Unit cell lengths76.200, 93.800, 105.300
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution8.000

*

- 2.900
R-factor0.20884
Rwork0.205
R-free0.31400

*

Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)Unliganded T. rangeli sialidase 1MZ5
RMSD bond length0.019

*

RMSD bond angle0.063

*

Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareREFMAC (5.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]15.0002.980
High resolution limit [Å]2.9002.900
Rmerge0.138

*

0.306

*

Total number of observations112960

*

Number of reflections17063
Completeness [%]99.999.8
Redundancy6.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.518

*

PEG-8000, ammonium sulfate, morpholinoethanesulfonate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropenzyme7 (mg/ml)
21reservoirPEG800017 (%)
31reservoirammonium sulfate100 (mM)
41reservoirMOPS50 (mM)pH6.5

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PDB entries from 2024-11-06

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