Table 1.

Structure determination of the LEAFY–DNA complex

Data statistics
Data set	Resolution (Å)a	Reflections measured/unique	Rmeas (%)b	I/σ	Completeness (%)
AP1/LFY: space group P6522, unit cell dimensions a=b=98.8 Å, c=177.4 Å
Native	20–2.1 (2.2–2.1)	503 443/29 859	4.8 (54.3)	38.5 (5.0)	97.4 (83.9)
EMTS	20–2.4 (2.5–2.4)	283 416/20 463	11.1 (50.2)	15.5 (4.7)	99.6 (99.3)
AG-I/LFY: space group P6522, unit cell dimensions a=b=98.4 Å, c=176.4 Å
Native	20–2.3 (2.4–2.3)	328 932/23 456	7.9 (75.1)	26.7 (3.4)	99.8 (100.0)
Phasing statistics for the EMTS derivative (SIRAS)
Wavelength (Å)	0.934
Phasing powerc	1.68
Figure of merit	0.468
Rcullisd	0.674
Number of mercury sites	4
Refinement statistics
		LFY/AP1		LFY/AG-I
Resolutiona		19.1–2.1 (2.2–2.1)		20.0–2.3 (2.4–2.3)
Total number of non-hydrogen protein atoms		1352		1332
Total number of non-hydrogen DNA atoms		526		567
Number of water molecules		148		105
R-factor (%)a		21.0 (25.0) for 26 896 reflections		22.1 (29.0) for 22 559 reflections
Rfree (%)a,e		23.7 (26.4) for 1521 reflections		24.9 (30.7) for 1183 reflections
r.m.s. deviations
Bond lengths (Å)		0.009		0.008
Bond angles (deg)		1.22		1.21
Average temperature factors (Å2)
Protein		41.1		39.8
DNA		48.1		46.4
Solvent		42.8		48.5
r.m.s.d. of covalently linked atoms (Å2)		2.55		3.45
Residues in Ramachandran plotf
Most favoured regions (%)		93.2 (136)		95.2 (139)
Additionally allowed regions (%)		6.8 (10)		4.8 (7)
Generously allowed regions (%)		0 (0)		0 (0)
Disallowed region (%)		0 (0)		0 (0)
aValues for the highest resolution range are given in parenthesis.
bRmeas is a redundancy independent R-factor as defined in Diederichs and Karplus (1997).
cPhasing power is the mean value of the heavy-atom structure factor amplitudes divided by the mean lack of closure.
dRcullis is the mean lack of closure divided by the mean isomorphous difference.
eRfree was calculated from a subset of 5% of the data.
fNumber of residues are given in parentheses.