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. Author manuscript; available in PMC: 2017 Nov 1.

Published in final edited form as: Nat Struct Mol Biol. 2017 May 1;24(6):507–514. doi: 10.1038/nsmb.3407

Table 2. X-ray data collection and refinement statistics.

	ecCTPS CTP-bound (PDB 5TKV)
Data collection
Space group	P2₁2₁2
Cell dimensions
a, b, c (Å)	159.16, 110.68, 129.49
α, β, γ (°)	90.00, 90.00, 90.00
Resolution (Å)	30.0 - 2.70 (2.82 - 2.70)^a
R_sym or R_merge (HKL2000)	0.092 (0.310)
I / σI	11.2 (3.1)
Completeness (%)	98.3 (99.0)
Redundancy	3.4 (3.2)

Refinement (Refmac 5.6)
Resolution (Å)	29.8 - 2.70
No. reflections	59184/3159
R_work / R_free	0.158/0.208
No. atoms	8827
Protein	8305
Ligand/ion (CTP/Mg)	158
Water	364
B-factors (Å²)
Protein	46
Ligand/ion (CTP/Mg)	43
Water	47
R.m.s. deviations (Refmac5.6)
Bond lengths (Å)	0.0156
Bond angles (°)	1.94

^*

Single crystal. Values in parentheses are for highest-resolution shell.