Table 1. Crystallographic data-collection and structure-refinement statistics for selected serial data sets from the nitrite-soaked AcNiR structural movie.

Values in parentheses are for the highest resolution shell. Data were processed using CC_1/2 > 0.5 and an 〈I/σ(I)〉 > 1.0 (outer shell) cutoff.

Structure	ds1	ds4	ds11	ds17	ds30	ds40
Data collection
Accumulated dose (MGy)	0.69	2.76	7.59	11.73	20.7	27.6
Unit-cell parameter (Å)	95.3	95.3	95.2	95.2	95.2	95.3
Resolution (Å)	42.6–1.07	42.6–1.08	42.6–1.09	42.6–1.22	42.6–1.45	42.6–1.56
Unique reflections†	121734 (5443)	119248 (5545)	115628 (5650)	82578 (4144)	48811 (2452)	39170 (2003)
Multiplicity	3.9 (2.7)	4.0 (3.0)	4.0 (3.3)	4.1 (3.8)	4.2 (4.2)	4.4 (4.2)
R p.i.m. (%)	2.6 (59.1)	2.4 (56.1)	2.2 (57.8)	2.1 (65.5)	2.3 (58.2)	2.6 (60.2)
CC1/2	0.54	0.50	0.57	0.53	0.55	0.52
〈I/σ(I)〉	13.4 (1.0)	14.8 (1.2)	15.9 (1.2)	17.5 (1.2)	16.1 (1.3)	14.3 (1.3)
Completeness (%)	96.7 (87.9)	97.4 (92.4)	97.5 (96.8)	97.4 (99.8)	96.2 (98.9)	95.7 (97.8)
Wilson B factor (Å2)	9.1	9.0	9.3	11.9	18.0	23.1
Refinement
R work/R free (%)	13.8/16.2	11.9/14.1	12.6/14.7	13.1/16.4	17.0/19.3	17.9/19.5
R.m.s.d., bond lengths (Å)	0.014	0.014	0.014	0.013	0.012	0.012
R.m.s.d., bond angles (°)	1.77	1.74	1.73	1.66	1.61	1.58
Maximum-likelihood-based ESU (Å)	0.02	0.02	0.02	0.03	0.05	0.06
Average protein B factor (Å2)	13.2	13.4	13.8	17.0	23.4	27.2
Average water B factor (Å2)	26.5	26.4	25.6	28.7	32.4	35.0
Ramachandran (%)
Favoured regions	98.8	99.1	99.1	99.1	98.8	98.8
Allowed regions	1.2	0.9	0.9	0.9	1.2	1.2
PDB code	5i6k	5i6l	5i6m	5i6n	5i6o	5i6p

^†Only partial reflections were recorded, e.g. for ds1 475 646 partials were recorded, while for ds40 164 925 partials were recorded.