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1LPG

CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 79.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsENRAF-NONIUS FR571
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2000-09-02
DetectorMARRESEARCH
Wavelength(s)1.54128
Spacegroup nameP 21 21 21
Unit cell lengths56.200, 72.000, 78.700
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution50.000 - 2.000
R-factor0.206
Rwork0.165
R-free0.28600

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Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.008
RMSD bond angle24.200

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Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwareX-PLOR (3.851)
Refinement softwareX-PLOR (3.851)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.100
High resolution limit [Å]2.0002.000
Rmerge0.059

*

0.232
Total number of observations70257

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Number of reflections20233

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<I/σ(I)>14.33.4
Completeness [%]91.171
Redundancy3.53.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.719

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PEG600, MES, CaCl2, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropammonium sulfate0.6 (mM)
21drop1 (mg/ml)
31dropbenzamidine10 (mg/ml)
41dropprotein60 (mg/ml)
51reservoirammonium sulfate1.2-1.6 (M)
61reservoirpH5.0-7.0

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