Table 1.

Crystallographic data collection and refinement statistics for the five wildtype CHSs

The highest-resolution shell values are given in parentheses.

	PpCHS	SmCHS	EaCHS	PsCHS	AtCHS
PDB codes	6DX7	6DX8	6DX9	6DXA	6DXB
Data collection
Total reflections	161,385 (13,620)	493,910 (50,217)	1,164,176 (116,600)	168,567 (13,442)	430,437 (39,846)
Unique reflections	82,406 (7763)	81,737 (6434)	125,911 (12,431)	46,489 (4596)	227,280 (21,992)
Multiplicity	2.0 (1.8)	6.0 (6.2)	9.2 (9.4)	3.6 (2.9)	1.9 (1.8)
Completeness (%)	98.95 (94.60)	90.60 (79.18)	99.97 (99.90)	99.31 (98.75)	98.48 (95.43)
Mean I/σ(I)	14.31 (1.57)	12.32 (1.62)	13.26 (1.35)	10.40 (2.62)	10.17 (2.78)
R-merge	0.03961 (0.4442)	0.1427 (1.194)	0.1013 (1.58)	0.1424 (0.6168)	0.04372 (0.2437)
CC1/2	0.998 (0.747)	0.995 (0.51)	0.998 (0.697)	0.979 (0.406)	0.996 (0.837)
Refinement
Resolution range (Å)	36.24–2.61 (2.703–2.61)	39.01–1.7 (1.761–1.7)	56.57–1.5 (1.554–1.5)	52.45–2.01 (2.082–2.01)	38.68–1.549 (1.604–1.549)
Space group	P 2 21 21	P 1 21 1	P 21 21 21	P 1 21 1	P 1 21 1
Unit cell (Å)	71.6 192.83 195.51	55.1702 66.6703 102.55	52.954 112.764 130.803	58.017 100.059 65.882	54.64 137.56 108.56
Unit cell (°)	90 90 90	90 91.35 90	90 90 90	90 110.807 90	90 95.59 90
R-work	0.1810 (0.3187)	0.1927 (0.3111)	0.1610 (0.4374)	0.1591 (0.2512)	0.1416 (0.1967)
R-free	0.2627 (0.3951)	0.2362 (0.3567)	0.1796 (0.4500)	0.2204 (0.3189)	0.1640 (0.2151)
Non-hydrogen protein atoms	17,592	5776	6054	6005	12,052
Water molecules	59	549	711	684	1680
RMSD bonds (Å)	0.014	0.012	0.009	0.012	0.009
RMSD angles (°)	1.5	1.32	1.26	1.31	1.27
Ramachandran favored (%)	94.07	97.74	97.8	96.75	97.91
Ramachandran allowed (%)	5.58	1.99	2.2	3.25	2.09
Ramachandran outliers (%)	0.35	0.27	0	0	0
Average B-factor	63.61	22.24	20.79	17.9	17.52