Table 3 X-ray data collection and refinement statistics for ΔG7048

Data collection

 Wavelength (Å)

1

 Space group

P21212

 Cell dimensions (Å)

a = 79.2 b = 87.3 c = 42.5

 Resolution range (Å)

43.65–1.90 (1.94–1.90)^a

 CC(1/2) (%)

99.9 (95.8)^a

 I/sigma I

18.9 (4.6)^a

 Completeness (%)

100 (100)^a

Reflections

 Total no. unique reflections

23,992 (1519)^a

 Multiplicity

11.4 (11.6)^a

Refinement statistics

 R_work/R_free (%)

0.16/0.20

 Resolution range average B-factor (Ų) (no. of atoms)

43.65–1.90

 Overall

30.62 (2502)

 Protein

29.04 (2227)

 Waters

37.31 (184)

 Others

55.73 (91)

RMSD

 Bond length (Å)

0.006

 Bond angle (°)

0.772

 Ramachandran (%)

 Preferred/Allowed

98.94/1.06

 PDB ID

8akp