Numbers in brackets are the ‘outer resolution shell’ values.

Crystal	1			2			3
PDB code	3txb	4dd0		3txd	4dd2		3txe	4dd3
Software	d*Trek	EVAL	Mosflm	d*Trek	EVAL	Mosflm	d*Trek	EVAL	Mosflm
Unit cell†	a = 78.66	a = 78.69	a = 78.61	a = 78.88	a = 78.91	a = 78.90	a = 78.66	a = 78.53	a = 78.54
	c = 36.96	c = 36.90	c = 36.91	c = 36.99	c = 36.99	c = 37.00	c = 37.44	c = 37.36	c = 37.38
Observed reflections	416806	336926	390544	366668	271407	267042	248915	239297	243139
Unique reflections	17504	13312	14988	16526	14462	10457	13378	13144	12223
Resolution ()	55.621.59 (1.641.59)	19.671.70 (1.761.70)	18.771.63 (1.731.63)	55.771.53 (1.591.53)	19.731.55 (1.601.55)	26.991.78 (1.871.78)	55.511.70 (1.761.70)	31.011.70 (1.761.70)	17.711.75 (1.841.75)
Completeness (%)	99.3 (93.2)	99.9 (100)	99.9 (100)	91.4 (38.4)	82.6‡ (53.0)	88.4 (100)	98.0 (82.3)	98.1 (82.9)	99.5 (95.8)
R merge	0.106 (0.377)	0.104 (0.64)	0.106 (1.36)	0.076 (0.327)	0.063 (0.456)	0.071 (0.24)	0.084 (0.395)	0.062 (0.314)	0.067 (0.30)
Merged mean I/	20.9 (8.4)	22.7 (4.4)	20.1 (2.2)	21.1 (2.1)	30.3 (2.1)	33.2 (11.1)	14.7 (4.2)	32.6 (7.3)	32.0 (8.9)
Redundancy	25.8 (18.9)	25.3 (25.8)	26.1 (24.6)	11.9 (2.5)	18.8 (4.2)	25.5 (24.8)	18.9 (14.0)	18.3 (13.2)	19.9 (18.3)
B Wilson	15.2	17.4	23.8	25.5	22.1	20.6	22.5	18.9	18.0
Average atomic B factor ()	31.4	18.5	29.9	35.2	23.0	23.3	31.0	17.8	18.9
R factor/R free (%)	20.9/25.6	18.7/23.6	17.7/22.8	19.8/25.9	20.0/24.5	18.9/25.1	20.0/25.8	19.2/23.6	18.9/25.0
R factor (all)	20.9	18.9	18.0	20.6	20.2	19.2	21.6	19.4	19.2
R.m.s.d. bond lengths ()/angles ()	0.0359/2.4021	0.017/1.924	0.0192/1.8505	0.0259/2.0605	0.0187/2.0721	0.0188/1.8168	0.0241/1.9858	0.0191/1.9181	0.0195/1.8769