Table 1.

Data collection and refinement statistics for the PA_N–RNA and PA_N–DNA crystal structures

PAN complex
PAN species	E119D	E119D	WT	WT
Oligonucleotide	RNA: AG*CAUCa	DNA: TTAGCATT	DNA: TTAGCATT	DNA: GTGAGCAGTG
Data collection b
Beamline (SERCAT)	APS/22-ID	APS/22-ID	APS/22-ID	APS/22-ID
Wavelength (Å)	1.000	1.000	1.000	1.000
Space group	I422	I422	I422	I422
Unit cell (Å)
a, b, c	89.20, 89.20, 134.25	89.30, 89.30, 134.02	89.89, 89.89, 134.30	89.65, 89.65, 133.78
Resolution range (Å)	50.00–1.99	50.00–2.08	50.00–1.92	50.00–2.20
R merge c	0.047 (0.843)	0.080 (0.485)	0.049 (0.779)	0.078 (0.790)
R meas	0.071 (0.804)	0.108 (0.594)	0.061 (0.740)	0.104 (0.969)
R pim	0.024 (0.426)	0.030 (0.219)	0.023 (0.308)	0.042 (0.486)
Unique reflections	18 911 (1369)	16 288 (1435)	21 245 (2048)	25 628 (2145)
Multiplicity	4.9 (4.7)	12.3 (5.9)	7.3 (5.4)	3.2 (1.9)
Mean I/σ(I)	30.5 (2.0)	25.0 (1.8)	46.4 (2.0)	20.8 (1.4)
CC1/2	0.999 (0.807)	0.999 (0.865)	0.999 (0.786)	0.996 (0.684)
Completeness (%)	99.9 (100.0)	98.9 (89.6)	99.4 (95.5)	99.0 (92.1)
Wilson B-factor (Å−2)	39.80	37.68	39.4	50.80
Refinement
R work (%)	17.76	17.46	17.72	18.99
R free (%)	20.98	20.49	21.67	21.54
R.m.s. deviations
Bonds (Å)	0.017	0.016	0.009	0.008
Angles (°)	1.43	1.93	0.87	0.80
Coordinate error (Å)d	0.25	0.21	0.23	0.28
Protein residues	177	178	179	179
Average B factor (Å2)
All atoms	56.61	57.93	59.12	77.80
Protein atoms	55.51	57.29	57.84	77.20
Ligand atoms	93.64	86.79	106.94	117.80
Solvent atoms	59.56	62.27	64.67	77.50
Ramachandran plot
Favored (%)	96.57	94.89	97.18	98.31
Allowed (%)	2.86	3.41	1.69	1.69
Outliers (%)	0.57	1.70	1.13	0.00
Clash score	6.0	4.3	5.4	2.7
PDB accession code	7KL3	6W7A	6WHM	6WS3

^a‘*’ indicates a non-cleavable sulfate group in place of the phosphate group at this position.

^bValues in parentheses refer to the highest resolution shell.

^cR_merge = ∑|(I–<I>)|/ ∑(I), where I is the observed intensity.

^dCalculated by maximum likelihood.