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1G7U

CRYSTAL STRUCTURES OF KDO8P SYNTHASE IN ITS BINARY COMPLEX WITH SUBSTRATE PHOSPHOENOL PYRUVATE

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU300
Temperature [K]180
Detector technologyIMAGE PLATE
Collection date1996-12-01
DetectorRIGAKU RAXIS II
Spacegroup nameI 2 3
Unit cell lengths117.900, 117.900, 117.900
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution8.000 - 2.800
R-factor0.231
Rwork0.228
R-free0.28100
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.016
RMSD bond angle2.500
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareX-PLOR (3.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.000

*

2.700
High resolution limit [Å]2.6002.800

*

Rmerge0.0660.066
Number of reflections7645
<I/σ(I)>6.9
Completeness [%]85.8

*

85.3
Redundancy2.33.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.2

*

23

*

MES 61mM pH 6.1, Glycerol 25% v/v, PEG 400 10% v/v, 3mg/mL PEP, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropTris-HCl0.1 (M)
21dropbeta-mercaptoethanol0.02 (%)
31dropsodium azide0.02 (%)
41dropprotein45 (mg/ml)
51reservoirMOPS61 (mM)
61reservoirglycerol25 (%(v/v))
71reservoirPEG40010 (%(v/v))
81reservoirphosphoenolpyruvate10 (mM)

222624

PDB entries from 2024-07-17

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