Table 1. Data-quality metrics for deposited unmerged reflection data for PDB entry 8aj2 before and after exclusion of poor image ranges using fitness analysis.

	Overall (46.16–2.20 Å)					Outer shell (2.27–2.20 Å)
		All data†		Selected‡			All data†		Selected‡
	Deposited§	As-is¶	Rescaled††	As-is¶	Rescaled††	Deposited§	As-is¶	Rescaled††	As-is¶	Rescaled††
R merge ‡‡	0.071	0.071	0.073	0.058	0.059	1.143	1.139	1.152	0.865	0.871
R meas §§	0.076	0.075	0.077	0.062	0.063	1.196	1.193	1.206	0.925	0.932
R p.i.m. ¶¶	0.022	0.022	0.023	0.022	0.023	0.352	0.351	0.355	0.327	0.330
Total No. of unique reflections	28787	28761		28749		2454	2559		2553
〈I/σ(I)〉†††	18.7	18.8	17.1	16.7	17.0	2.1	2.1		2.1
Completeness (%)	99.9	100.0		99.9		99.4	99.6		99.3
Multiplicity	11.3	11.3		7.9		11.4	11.4		7.9
CC1/2	0.990	0.999		0.999		0.751	0.778	0.785	0.790	0.792

^†Using deposited unmerged reflection data for all 2000 images.

^‡Using deposited unmerged reflection data for the first 1393 images only.

^§Data-quality metrics given in the archived PDBx/mmCIF entry for PDB entry 8aj2.

^¶Using deposited unmerged data without any further scaling or error model adjustment.

^††Using deposited unmerged data for scaling and error model adjustment in AIMLESS.

^‡‡ R _merge = (Evans, 2006 ▸; Einspahr & Weiss, 2012 ▸).

^§§ R _meas = (Diederichs & Karplus, 1997 ▸; Weiss & Hilgenfeld, 1997 ▸).

^¶¶ R _p.i.m. = (Weiss, 2001 ▸).

^†††Average (within given resolution limits) of inverse-variance-weighted mean intensities over their corresponding error.

^‡‡‡Correlation coefficient between two randomly chosen ‘half’ sets (Karplus & Diederichs, 2012 ▸; Evans, 2011 ▸).