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1RPN

Crystal Structure of GDP-D-mannose 4,6-dehydratase in complexes with GDP and NADPH

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 5ID-B
Synchrotron siteAPS
Beamline5ID-B
Temperature [K]100
Detector technologyCCD
Collection date2002-04-13
DetectorMARRESEARCH
Wavelength(s)1.0
Spacegroup nameP 32 2 1
Unit cell lengths125.730, 125.730, 220.025
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution30.000 - 2.200

*

R-factor0.176
Rwork0.174
R-free0.19500

*

Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1n7h
RMSD bond length0.005
RMSD bond angle23.000

*

Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0002.230
High resolution limit [Å]2.200

*

2.150
Rmerge0.039

*

0.076

*

Number of reflections108095
<I/σ(I)>20
Completeness [%]98.392.8
Redundancy54
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.5298MPD, Tris, ammonium phosphate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11reservoirMPD50 (%)
21reservoirTris100 (mM)pH8.5
31reservoir200 (mM)
41dropTris20 (mM)pH8.5
51drop1 (mM)
61dropprotein10 (mM)

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PDB entries from 2024-11-06

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