Table 2.

X-ray data collection statistics and model refinement statistics

X-ray data and model parameters	Pcryo_0638	Pcryo_0637 UDP/acetyl-CoA	Pcryo_0637 CoA/UDP-2,4-diacetamido-2,4,6-trideoxy-d-glucose	Pcryo_0637 CoA/UDP-2-acetamido-4-amino-2,4,6-trideoxy-d-glucose	Pcryo_0637 tetrahedral intermediate
Resolution limits (Å)	50.0–1.30 (1.40–1.30)a	50.0–1.30 (1.40–1.30)a	50.0–1.55 (1.65–1.55)a	50.0–1.30 (1.40–1.30)a	50.0–1.40 (1.50–1.40)a
Number of independent reflections	202026 (36,011)	56,307 (11,060)	33,312 (5566)	56,136 (10,804)	45,470 (8481)
Completeness (%)	92.9 (83.0)	98.2 (96.6)	98.1 (95.0)	98.3 (94.6)	98.8 (97.9)
Redundancy	2.4 (1.9)	6.1 (2.8)	5.1 (2.4)	8.1 (2.5)	5.9 (3.3)
avg I/avg σ(I)	7.2 (1.9)	17.6 (3.0)	19.6 (3.0)	20.3 (2.4)	20.2 (3.3)
Rsym (%)b	5.7 (22.9)	6.2 (43.6)	4.5 (34.1)	5.4 (44.8)	4.9 (38.0)
cR-factor (overall)%/no. reflections	15.1/202026	19.5/56,307	16.4/33,312	17.7/56,136	15.9/45,470
R-factor (working)%/no. reflections	15.0/191942	19.4/53,390	16.2/31,600	17.3/53,279	15.8/43,279
R-factor (free)%/no. reflections	16.9/10,084	21.4/2917	19.0/1712	19.4/2857	18.2/2191
Number of protein atoms	6354	1642	1635	1649	1651
Number of heteroatoms	1480	364	355	373	379
Average B values
Protein atoms (Å2)	12.2	11.8	17.8	14.7	14.5
Ligand (Å2)	10.2	18.6	34.1	24.6	23.4
Solvent (Å2)	28.1	26.6	33.5	29.5	30.1
Weighted RMS deviations from ideality
Bond lengths (Å)	0.010	0.010	0.009	0.010	0.010
Bond angles (°)	1.55	1.90	1.60	1.60	1.70
Planar groups (Å)	0.009	0.008	0.008	0.008	0.009
Ramachandran regions (%)d
Most favored	98.6	94.9	95.8	96.3	95.8
Additionally allowed	1.4	5.1	4.2	3.7	4.2
Generously allowed	0.0	0.0	0.0	0.0	0.0
PDB code	7L7X	7L7Y	7L7Z	7L81	7L82

^aStatistics for the highest resolution bin.

^b$R_{sym}=\left(\sum |\text{I}-\overline{\text{I}}|/\sum \text{I}\right)\times 100$.

^cR-factor = (Σ|F_o - F_c|/Σ|F_o|) x 100 where F_o is the observed structure-factor amplitude and F_c is the calculated structure-factor amplitude.

^dDistribution of Ramachandran angles according to PROCHECK (26).