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1A0Q

29G11 COMPLEXED WITH PHENYL [1-(1-N-SUCCINYLAMINO)PENTYL] PHOSPHONATE

Experimental procedure
Source typeROTATING ANODE
Source detailsRIGAKU RUH3R
Temperature [K]93
Detector technologyIMAGE PLATE
Collection date1997-02
DetectorRIGAKU
Spacegroup nameP 21 21 21
Unit cell lengths36.780, 82.610, 132.340
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution50.000 - 2.300
R-factor0.203
Rwork0.203
R-free0.27500
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)PDP ENTRY 1EAP
RMSD bond length0.009
RMSD bond angle26.600

*

Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareX-PLOR (3.843)
Refinement softwareX-PLOR (3.843)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.400
High resolution limit [Å]2.3002.300
Rmerge0.0800.280
Total number of observations85418

*

Number of reflections20072
<I/σ(I)>8.73.2
Completeness [%]94.990.2
Redundancy43.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

*

6pH 6.0
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein10 (mg/ml)
21reservoirPEG800011 (%)
31reservoirzinc acetate0.2 (M)
41reservoircacodylate0.1 (M)pH6

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