TABLE 1.

Data collection and refinement statistics

	UDP-4-amino	AcCoA	Citrate	SeMet derivative
Data collection
Space group	P4332	P212121	P63	P63
Unit cell dimension, a, b, c (Å)	162, 162, 162	56, 92, 125	86, 86, 65	86, 86, 65
Resolution (Å)	30-2.30	50-1.80	30-1.77	30-2.2
Rmerge (%)a,b	11.0 (60.7)	6.3 (36.1)	6.2 (57.1)	13.6 (61.8)
I/σIb	29.4 (4.5)	32.0 (5.0)	27.7 (2.9)	12.2 (2.6)
Completeness (%)b	100 (100)	99.9 (99.9)	99.7 (99.6)	100 (100)
Redundancyb	30.2 (30.8)	8.0 (7.5)	5.7 (5.7)	5.6 (5.6)
Riso (%)b				12.0
Refinement
Resolution (Å)	30-2.30	30-1.80	30-1.77
Unique reflections	31,265	56,913	25,746
Rwork/Rfree (%)d,e	17.8/19.1	18.4/22.0	18.3/19.9
No, atoms	1,687	5,006	1,616
Protein	1,447	4,226	1,397
Organic	38	153	13
Water	202	627	206
B-factors (Å2)
Overall	28.6	19.6	25.9
Protein	27.0	17.0	22.9
Organic	23.7	25.7	21.4
Water	41.4	36.3	46.4
r.m.s.d.
Bond lengths (Å)	0.013	0.010	0.010
Bond angles (°)	1.383	1.620	1.189
Ramachandran plot, %f	85.1/14.9/0.0	86.2/13.6/0.2	89.0/11.0/0.0
PDB code	3BSS	3BSY	3BSW

^c R_iso = ∑(|F_PH - F_P|)/∑|F_P|, the mean fractional isomorphous change between the native amplitudes (F_P) and the amplitudes from the SeMet derivative data set (F_PH).

^aThe number in parentheses represents the highest resolution bin; 2.38-2.30 Å, 1.86-1.80 Å, 1.83-1.77 Å, and 2.28-2.20 Å for the data sets of UDP-4amino, AcCoA, citrate, and the SeMet derivative, respectively.

^bR_merge = ∑|I - <I>|/∑I, where I is the intensity of a reflection, and <I> is the mean intensity of a group of equivalent reflections.

^dR_work = ∑_h||F(h)_obs| - |F(h)_calc| /∑_h|F(h)_obs|.

^eR_free was calculated for 5% of reflections randomly excluded from the refinement.

^fRamachandran plot statistics are given as core/allowed/generously allowed and are for all chains.