Table 1 Crystallographic data and refinement statistics

Beamline

ALS 8.2.1

Wavelength (Å)

1.2547

Space group

I422

Unit cell

a = 100.3 Å, b = 100.3 Å, c = 104.9 Å

α = 90°, β = 90°, γ = 90°

Resolution (Å)*

36.25–1.75 (1.84–1.75)

R_merge (%)*

8.3 (55.9)

I/σ (I) *

22 (3.9)

Completeness (%)*

99.9 (99.9)

Redundancy*

9.2 (9.3)

Refinement

Unique reflections

27265

Free R test set (% of total data)

5.12

R_work/R_free (%)

15.0/18.2

Monomers per asymmetric unit

1

Number of non-hydrogen atoms

2166

Protein

1847

Ligand (imatinib, FAD, MRD)

106

Water

213

r.m.s. deviation, bond lengths (Å)

0.012

r.m.s. deviation, bond angles (Å)

1.093