Table 1. Crystallographic and refinement data of the ActD–A[br⁵U]GCTGCAT complex.

λ for data collection (Å)	0.9530	0.9197	0.9196	0.8563
		inflection point	peak	high remote
Crystallographic data
a = b (Å)	47.24	46.73	46.73	46.72
c (Å)	69.45	69.57	69.58	69.58
Space group	P3112
Resolution (Å)	20–2.6	20–3.0	20–3.0	20–3.0
No. of reflections [>0 σ (I)]	2650	3456a	3477a	3467a
<I/σ(I)>	29.1 (14.4)b	24.1	21.9	23.9
Rmerge (%)	5.5 (13.9)b	6.8	7.9	6.6
Completeness (%)	96.9 (99)b	99.5	99.5	99.4
Multiplicity	6.9	11.1	11.1	11.2
Refinement data
Rfactor/Rfree (5% data)	0.233/0.295
r.m.s.d. (Å)	0.018
r.m.s.d. (°)	3.1
No. of DNA atoms	362
No. of drug atoms	180
No. of waters	66

^aIncluding Friedel’s pairs.

^bThe numbers in parentheses are from the outermost shell (2.5–2.6 Å) data.