Complex

nNOSoxy-AR-R17477

iNOSoxy-AR-R17477

PDB ID code

1VAG

1VAF

Crystal Parameters

Group

C222₁

P6₁22

Cell parameters: a, b, c, [Å] α, β, γ [Ί]

45.3, 109.2, 164.9, 90, 90, 90

216.3, 216.3, 117.8, 90, 90, 120

Data collection

Beamline

ID29, ESRF

ID14-1, ESRF

Wavelength, Å

0.969

0.934

Resolution of data, Å

2.0

2.9

No. of observations/unique reflections

155512 / 26632

242912 / 33439

Completeness (total / high), %

94.5 / 91.4

96.5 / 95.8

<I/σ(I)> (total / high)

13.5 / 5.4

21.6 / 5.7

R_sym (total / high), %

9.1 / 34.6

5.8 / 38.1

Refinement statistics

Resolution range, Å

8.0 - 2.0

8.0 - 2.9

Included amino acids

297-716

77 – 495

No. of protein atoms

3419

2 x 3416

No. of waters

231

181

R_work / R_free, %

19.3 / 22.9

20.7 / 26.2

rms deviation for bonds (Å) /angles (deg)

0.007 / 1.3

0.009 / 1.4