. 2020 Jun 21;295(33):11584–11601. doi: 10.1074/jbc.RA120.012444

Table 2.

Data collection statistics

Numbers in parentheses relate to the highest-resolution shell (2.69–2.60 Å for GePTS1, 1.51–1.48 Å for PsPTS1, and 1.89–1.85 Å for PsPST1 sulfur-SAD).

	GePTS1	PsPTS1	PsPTS1 sufur-SAD
Space group	P3₁21	P2₁3	P2₁3
Resolution range (Å)	39.1–2.60	35.3–1.48	39.4–1.85
Reflections (observed/unique)	539,183/46,983	209,128/27,529	517,060/14,218
R_meas^a (%)	0.125 (1.821)	0.073 (1.065)	0.079 (1.228)
R_pim^b (%)	0.037 (0.526)	0.026 (0.387)	0.013 (0.255)
I/σ	13.3 (1.7)	14.6 (1.8)	28.4 (2.8)
Completeness (%)	100.0 (100.0)	99.9 (98.8)	100 (99.6)
CC_½^c	0.997 (0.598)	0.999 (0.72)	1.000 (0.834)
Multiplicity	11.5 (11.7)	7.6 (7.4)	36.4 (22.4)
Wilson B (Å²)	80.4	18.8	36.1
Anomalous resolution limit (Å)			3.3
Anomalous completeness			100 (99.3)
Anomalous multiplicity			19.1 (11.5)
CC_anom^d			0.197

^a R_meas is the redundancy-independent merging R factor (39).

^b R_pim is the precision-indicating merging R factor (40).

^c Percentage of correlation between intensities from random half-sets of data (41).

^d Correlation of ΔI_anom from two random half-sets (42).