. 2021 Mar 19;296:100568. doi: 10.1016/j.jbc.2021.100568

Table 1.

Data collection and refinement statistics

NUDT15	WT	V18I	R139C	R139H	V18_V19insGV
Data collection
Synchrotron and beamline	MAXIV BioMAX	MAXIV BioMAX	MAXIV BioMAX	MAXIV BioMAX	DLS I24
Space group	P 1 2₁ 1	C 1 2 1	P 1	P 1	P 1 2₁ 1
Cell dimensions
a,b,c (Å)	63.6, 45.6, 67.0	115.5, 34.6, 75,2	34.9, 43.8, 60.4	41.3, 60.2, 69.3	63.4, 45.7, 66.3
α, β, γ (°)	90, 116, 90	90.0, 148.6, 90.0	91.6, 106.7, 113.48	100.1, 104.1, 90.3	90, 115.1, 90
Resolution (Å)	60.24–1.60 (1.63–1.60)^a	39.22–1.50 (1.53–1.50)^a	35.37–1.60 (1.63–1.60)^a	40.59–1.60 (1.63–1.60)^a	60.07–1.45 (1.47–1.45)
Rmeas	0.064 (0.721)^a	0.119 (0.886)^a	0.059 (0.148)^a	0.060 (0.305)^a	0.086 (1.458)^a
Rpim	0.034 (0.385)^a	0.062 (0.472)^a	0.042 (0.105)^a	0.042 (0.216)^a	0.021 (0.362)1
CC1/2	0.999 (0.862)^a	0.994 (0.949)^a	0.997 (0.985)^a	0.998 (0.976)^a	1.000 (0.861)^a
<I/σ(I)>	15.1 (2.4)^a	8.6 (1.8)^a	16.2 (7.6)^a	11.5 (2.7)^a	24.7 (3.1)^a
Total observations	310,958 (15,401)^a	166,790 (8167)^a	140,950 (6.909)^a	289,021 (14,047)^a	1,931,455 (93,528)^a
Unique observations	45,919 (2312)^a	25,129 (1235)^a	39,574 (1931)^a	81,339 (3976)^a	61,265 (3026)^a
Completeness (%)	100 (100)^a	100 (100)^a	96.6 (95.2)^a	96.8 (95.3)^a	100 (100)^a
Redundancy	6.8 (6.7)^a	6.6 (6.6)^a	3.6 (3.6)^a	3.6 (3.5)^a	31.5 (30.9)^a
Refinement
Rwork/Rfree	0.167/0.196	0.180/0.213	0.160/0.184	0.185/0.220	0.167/0.197
B-factors (A2):
Protein	25.5	42.3	23.1	33.1	21.4
Solvent	37.6	51.8	34.8	27.2	35.6
Ligand	20.2	39.8	24.0	39.0	17.5
R.m.s.d. bond lengths (Å)	0.01	0.01	0.01	0.01	0.01
R.m.s.d. bond angles (°)	1.82	1.74	1.89	1.70	1.86
Ramachandran statistics:
Favored (%)	98.1	96.7	98.7	97.6	98.71
Outliers (%)	0	0	0	0	0.32
PDB ID	7B63	7B64	7B65	7B66	7B67

Values in parentheses are for the highest-resolution shell.