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Table 1 Summary of crystallographic data and model refinement

From: Implications of the structure of human uridine phosphorylase 1 on the development of novel inhibitors for improving the therapeutic window of fluoropyrimidine chemotherapy

Diffraction Data:

    

Crystal Form

BAU

 

APO

 

Source

SSRL 7-1

 

SSRL 9-1

 

λ

1.00 Ã…

 

1.00 Ã…

 

Space Group

P212121

 

F4132

 

Cell constants

a = 66.20 Ã…

 

a = 253.78 Ã…

 
 

b = 74.44 Ã…

 

b = 253.78 Ã…

 
 

c = 262.71 Ã…

 

c = 253.78 Ã…

 

Mosaicity

0.40°

 

0.41°

 

Resolution

50-1.90 Ã…

(1.97-1.90 Ã…)

50-2.3 Ã…

(2.38-2.30 Ã…)

Rmerge

11.9%

(44.1%)

7.2%

(38.4%)

I/σ

16.1

(2.0)

30.7

(5.7)

Completeness

99.8%

(100.0%)

99.9%

(99.7%)

Model Refinement:

    

Number of reflections

97,957

 

30,108

 

Number of monomers/A.U.

4

 

1

 

Atoms/A.U.

9466

 

2396

 

   Protein

9030

 

2268

 

   Ligand

100

 

6

 

   Water

336

 

122

 

Rcryst

20.5%

 

20.4%

 

Rfree

25.1%

 

22.1%

 

Rmsd bond lengths

0.018 Ã…

 

0.020 Ã…

 

Rmsd bond angles

1.72°

 

1.68°

 

Ramachandran statistics

    

Most favored regions

91.5%

 

91.9%

 

Additional allowed regions

8.5%

 

8.1%

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