Table 1 Data collection and refinement statisticsa,b,c

From: Structural characterization of a highly-potent V3-glycan broadly neutralizing antibody bound to natively-glycosylated HIV-1 envelope

 

BG18-BG505-35O22 (LCLS: MFX) PDB 6CH7

BG18-BG505-35O22 (SSRL: 12-2) PDB 6CH8

BG18-B41-35O22 (SSRL 12-2) PDB 6CH9

BG18-BG505-IOMA (SSRL 12-2) PDB 6CHB

Data collection

    

Space group

H32

H32

H32

P43212

Cell, Å (a, b, c)

238.9, 238.9, 354.0

239.2, 239.2, 355.3

241.6, 241.6, 344.5

175.1, 175.1, 454.4

Angles (α, β, γ)

90, 90, 120

90, 90, 120

90, 90, 120

90, 90, 90

Wavelength

1.309 Å

1.00 Å

1.00 Å

1.00 Å

Resolution (Å)

49.66–3.80

39.5–4.10

39.8–4.95

39.81–6.78

(3.87–3.80)

(4.32–4.10)

(5.54–4.95)

(7.58–6.78)

Rpim (%)

7.4 (84.1)

8.1 (113.7)

14.2 (139.5)

Rmerge (%)

53.4 (91.5)

I/σI

4.31 (0.32)

8.2 (1.1)

5.5 (0.8)

5.6 (1.2)

Completeness (%)

99.1 (93.8)

99.8 (99.9)

99.8 (99.9)

99.4 (99.6)

Multiplicity

9.2 (3.2)

11.9 (12.2)

9.9 (9.8)

18.5 (19.3)

CC1/2

95.9 (35.4)

99.7 (61.3)

99.6 (45.3)

98.7 (64.8)

Refinement statistics

    

Resolution (Å)

49.66–3.80

39.5–4.10

39.8–4.85

39.81–6.78

(3.87–3.80)

(4.32–4.10)

(5.31–4.85)

(7.58–6.78)

Reflections

    

  Measured

354394

366818

166902

238633

  Unique

38101

30813

18521

13801

Rwork/Rfree

24.3/25.7

25.3/26.7

29.4/31.8

37.9/39.1

Wilson B-factor (Å2)

159.8

141.8

261.8

368.3

Number of atoms

    

  Protein

11,228

11,162

11,151

33,018

  Carbohydrate

842

799

779

264

R.m.s deviations

    

  Bond lengths (Å)

0.004

0.008

0.011

0.013

  Bond angles  (˚)

0.837

0.945

0.913

1.450

  1. a X-ray free electron data were collected at the Linac Coherent Light Source (LCLS) on Macromolecular Femtosecond Crystallography (MFX) instrument. The XFEL dataset averaged diffraction data from approximately 400 crystals. Conventional synchrotron radiation datasets were collected at the Stanford Synchrotron Radiation Lightsource (SSRL) beamline 12-2, with each dataset generated from a single crystal
  2. b Numbers in parentheses correspond to the highest resolution shell
  3. c Resolution limits were extended to include weak intensity data68