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3GSS

HUMAN GLUTATHIONE S-TRANSFERASE P1-1 IN COMPLEX WITH ETHACRYNIC ACID-GLUTATHIONE CONJUGATE

Experimental procedure
Source typeROTATING ANODE
Source detailsRIGAKU RUH2R
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date1996-07
DetectorMARRESEARCH
Spacegroup nameC 1 2 1
Unit cell lengths77.657, 89.347, 68.596
Unit cell angles90.00, 97.44, 90.00
Refinement procedure
Resolution15.000 - 1.900
R-factor0.206
Rwork0.206
R-free0.23300
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1gss
RMSD bond length0.006
RMSD bond angle21.932

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Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareX-PLOR (3.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]15.0001.970
High resolution limit [Å]1.9001.900
Rmerge0.0880.271
Total number of observations61022

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Number of reflections33121
<I/σ(I)>8.72.6
Completeness [%]90.787.3
Redundancy1.81.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

*

5.222

*

pH 5.2
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein4 (mg/ml)
101reservoirMES0.1 (M)
21dropphosphate5 (M)
31dropEDTA0.5 (mM)
41dropmercaptoethanol1 (mM)
51dropammonium sulfate11.5-13.5 (%(w/v))
61dropDTT27.5-32.5 (mM)
71dropMES0.05 (M)
81reservoirammonium sulfate23-27 (%(w/v))
91reservoirDTT55-65 (mM)

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