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Table 1 Data collection and refinement statistics A summary of all relevant crystallographic parameters during data collection and the refinement procedures is shown.

From: Crystal structure of THEP1 from the hyperthermophile Aquifex aeolicus: a variation of the RecA fold

Data collection

Beamline

Swiss Light Source X06SA

Space group

P2(1)

Unit-cell dimensions

a = 35.0 Å b = 64.2 Å c = 39.6 Å

Unit-cell angles

α = 90.0° β = 105.2° γ = 90.0°

Vm

2.17 Å 3/Da

Solvent content

43.3 %

Wavelength

λpeak = 0.97625 Å

λinfl = 0.97980 Å

Resolution

20 - 1.4 Å

20 - 1.4 Å

Completeness

95.3 %

95.6 %

Reflections (unique)

227088 (64230)

227487 (64213)

R symm a,b total

5.7%

3.7%

R symm a,b last shell

37.3%

19.2%

I/σ(I) total

11.67

19.31

I/σ(I) last shell

3.49

6.62

Wilson-B

20.86 Å2

19.61 Å2

Phasing

Anomalous phasing power

λinfl = 1.7 λpeak = 1.8

Anomalous phasing power last shell

λinfl = 0.46 λpeak = 0.48

FOM

42%

FOM last shell

15%

FOM after solvent flattening

86%

FOM after solvent flattening, last shell

73%

Refinement

Resolution

18.2 - 1.4 Å

Reflections unique (test set)

31501(1679)

Number of amino acids

178

Number of atoms

1679

Number of water molecules

293

R cryst

16.8%

R free

20.8%