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Table 1 Summary of crystal parameters, data collection and refinement statistics

From: Crystal structures of an Extracytoplasmic Solute Receptor from a TRAP transporter in its open and closed forms reveal a helix-swapped dimer requiring a cation for α-keto acid binding

Data collection

Unbound Selenomethionine (P 21)

Pyruvate (C 2)

Wavelength, Å a

0.97960 (i)

0.97940 (p)

0.97565 (r)

0.97565

Resolution range, Å

68-1.7

68-1.8

68-2.0

48-1.4

Cell parameters:

    

a

104.61

  

118.02

b

63.94

  

78.06

c

127.95

  

95.14

β

106.64°

  

124.98°

No. of measured reflections

581707

506662

374656

500384

No. of unique reflections

175148

149602

109442

137318

R sym b,c

8.7 (46.2)

8.0 (25.3)

7.4 (18.3)

7.7 (49.1)

I/σIc

12.3 (2.2)

13.1 (3.6)

13.5 (5.3)

15 (3.1)

Completeness, %b

98.5 (95.5)

99.5 (98.2)

99.6 (98.6)

99 (97.9)

Sites (n)

40

   

Refinement

    

Resolution range, Å

68-1.7

  

48-1.4

Rcryst /Rfree

17.9/20.5

  

17.3/18.4

No. of non hydrogen atoms:

    

   Total

11298

  

5795

   Protein

1054

  

5304

   Glycerol

24

   

   Pyruvate

-

  

12

   Ion

-

  

2

   Water

731

  

477

Average B-factors, Å 2 :

    

   Main-chain

16.1

  

9.6

   Side-chain

18.2

  

11.3

   Glycerol

35.8

  

-

   Pyruvate

-

  

9.2

   Ion

-

  

4.4

   Water

24.8

  

19.6

RMSD bonds, Å

0.012

  

0.007

RMSD angles, °

1.30

  

1.14

PDB code

2HZK

  

2HZL

  1. a(i), (p) and (r) denote respectively inflection, peak and remote data sets.
  2. bRsym = ΣhΣi|Ii(h) - <I(h) >/ΣhΣiIi(h)
  3. cNumber in parenthesis refer to the last 0.1Å shell
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BMC Structural Biology

ISSN: 1472-6807

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