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4CAA

CLEAVED ANTICHYMOTRYPSIN T345R

Replaces:  1CT3
Experimental procedure
Source typeSYNCHROTRON
Source detailsCHESS BEAMLINE A1
Synchrotron siteCHESS
BeamlineA1
Temperature [K]100
Detector technologyCCD
Collection date1996-09
DetectorADSC
Spacegroup nameP 21 21 21
Unit cell lengths72.830, 83.510, 82.860
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution8.000 - 2.900
R-factor0.199
Rwork0.199
R-free0.28400
Structure solution methodDIFFERENCE FOURIER
Starting model (for MR)1CT3
RMSD bond length0.010
RMSD bond angle24.000

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Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareX-PLOR (3.1)
Refinement softwareX-PLOR (3.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0003.000
High resolution limit [Å]2.9002.900
Rmerge0.085

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Total number of observations37763

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Number of reflections11269

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<I/σ(I)>7.1
Completeness [%]95.997.1
Redundancy3.353.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

*

5.6Lukacs, C.M., (1996) Nat.Struct.Biol., 3, 888.

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Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein2 (mg/ml)
21dropPEG80005.7 (%)
31dropmagnesium acetate0.07 (M)
41dropsodium citrate0.03 (M)
51reservoirPEG800015 (%)
61reservoirmagnesium acetate0.2 (M)
71reservoirsodium citrate0.1 (M)

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