Table 1.

Crystallographic Statistics for Structures of BFDC with PAA and 3-PKB

data set	BFDC with PAA	BFDC with 3-PKB
PDB ID code	3F6B	3F6E
beamline	APS, GM/CA-CAT, 23-ID-D	APS, GM/CA-CAT, 23-ID-D
wavelength (Å)	1.0332	1.0332
space group	I222	I222
unit cell	a = 81.5, b = 96.1, c = 137.4	a = 81.1, b = 95.8, c = 137.3
resolution limits	50.0–1.34 (1.39–1.34)	50.0–1.44 (1.51–1.44)
total reflections	120075	119545
unique reflections	114739	98827
% completeness (last shell)	95.7 (85.1)	82.8 (82.0)
redundancy (last shell)	5.9 (3.8)	4.5 (3.7)
I/σ(I)	16.9 (1.89)	11.9 (2.14)
Rmerge	0.089 (0.61)	0.11 (0.49)
unit cell contents
molecules/ASU	1	1
solvent content (%)	48.6	48.1
refinement statistics
resolution range (Å)	50.0–1.34	50.0–1.44
Rwork (%)	17.9	19.6
Rfree (%)	19.8	21.9
no. of residues	523	523
no. of waters	431	373
average B factor (Å2)	16.3	15.7
rmsd
bond lengths (Å)	0.01	0.02
bond angles (deg)	1.43	1.74
Ramachandran analysis
most favored (%)	98.66	98.27
allowed (%)	100	100