Table 1 Summary of data collection and refinement statistics for Il‑DyP4 (PDB: 7D8M)

Data collection

 Wavelength (Å)

0.9792

 Space group

P6₅

Cell parameters

 a, b, c (Å)

118.96, 118.96, 65.35

 α, β, γ (°)

90, 90, 120

 Resolution (Å)

40.00–2.00 (2.03–2.00)^a

 R_merge (%)

12.5 (81.5)

 CC_1/2

0.993 (0.927)

 I/σI

14.3 (1.67)

 Completeness (%)

99.8 (99.7)

 Average redundancy

10.1 (7.9)

Refinement statistics

 No. reflections (overall)

35,658

 No. reflections (test set)

1812

 R_work/R_free(%)

16.89/20.87

Number of atoms

 Protein

3487

 HEM/O₂

43/2

 H₂O

312

B factors (Ų)

 Protein

32.26

 HEM/O₂

24.63/35.74

 H₂O

36.48

r.m.s. deviations

 Bond lengths (Å)

0.006

 Bond angles (°)

0.812

Rampage plot % residues

 Favored

98.00

 Allowed

2.00

 Outliers

0.00