Table 1.

Data Collection and Refinement Statistics^a

Wavelength (Å)	1.00
Diffraction resolution (Å)	65 – 1.9 (1.95 – 1.90)
No. of observations	325777
No. of unique reflections	55959
Redundancy	5.8 (5.8)
Completeness (%)	99.3 (100)
Rmerge	0.059 (0.356)
Average I/σ	12.5 (3.3)
Wilson B-factor (Å2)	33
No. of protein chains	2
No. of protein residues	588
No. of water molecules	334
No. of non-hydrogen atoms	5222
Rcryst	0.195 (0.239)
Rfreeb	0.222 (0.318)
RMSDc
Bond lengths (Å)	0.011
Bond angles (deg.)	1.31
Ramachandran plotd
Most favored (%)	94.9
Additional allowed (%)	4.9
Generously allowed (%)	0.2
Average B-factors (Å2)
Protein	32
FAD	36
Lys99 side chain (CB-NZ)	35
3-carbon link	36
Water	37
MPD	45
PDB entry	2EKG

^aValues for the outer resolution shell of data are given in parenthesis.

^b5% random test set.

^cCompared to the Engh and Huber parameters (45).

^dThe Ramachandran plot was generated with PROCHECK (46).