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12GS

GLUTATHIONE S-TRANSFERASE COMPLEXED WITH S-NONYL-GLUTATHIONE

Experimental procedure
Source typeROTATING ANODE
Source detailsRIGAKU RUH2R
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date1996-07-19
DetectorMARRESEARCH
Spacegroup nameC 1 2 1
Unit cell lengths77.912, 89.427, 68.945
Unit cell angles90.00, 97.47, 90.00
Refinement procedure
Resolution15.000 - 2.100
R-factor0.207
Rwork0.207
R-free0.26200

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Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1gss
RMSD bond length0.007

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RMSD bond angle24.000

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Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareX-PLOR (3.851)
Refinement softwareX-PLOR (3.851)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.170
High resolution limit [Å]2.1002.100
Rmerge0.063

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0.174

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Total number of observations37192

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Number of reflections25528

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<I/σ(I)>13.45.3
Completeness [%]93.0

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91

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Redundancy1.5

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Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

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7

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22

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Oakley, A.J., (1997) J.Mol.Biol., 274, 84.

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Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein8 (mg/ml)
21dropphosphate10 (mM)
31dropEDTA1 (mM)
41dropmercaptoethanol2 (mM)
51reservoirammonium sulfate20-34 (%(w/v))
61reservoirdithiothreitol50-80 (mM)
71reservoirMES100 (mM)

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PDB entries from 2024-09-18

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