Table 1. Structure determination of the LEAFY‐DNA complex
Data statistics
Data setResolution (Å)aReflections measured/uniqueRmeas (%)bICompleteness (%)
AP1/LFY: space group P6522, unit cell dimensions a=b=98.8 Å, c=177.4 Å
 Native20–2.1 (2.2–2.1)503 443/29 8594.8 (54.3)38.5 (5.0)97.4 (83.9)
 EMTS20–2.4 (2.5–2.4)283 416/20 46311.1 (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
 Native20–2.3 (2.4–2.3)328 932/23 4567.9 (75.1)26.7 (3.4)99.8 (100.0)
Phasing statistics for the EMTS derivative (SIRAS)
Wavelength (Å)0.934
Phasing powerc1.68
Figure of merit0.468
Rcullisd0.674
Number of mercury sites4
Refinement statistics
LFY/AP1LFY/AG‐I
Resolutiona19.1–2.1 (2.2–2.1)20.0–2.3 (2.4–2.3)
Total number of non‐hydrogen protein atoms13521332
Total number of non‐hydrogen DNA atoms526567
Number of water molecules148105
R‐factor (%)a21.0 (25.0) for 26 896 reflections22.1 (29.0) for 22 559 reflections
Rfree (%)a,e23.7 (26.4) for 1521 reflections24.9 (30.7) for 1183 reflections
r.m.s. deviations
 Bond lengths (Å)0.0090.008
 Bond angles (deg)1.221.21
Average temperature factors (Å2)
 Protein41.139.8
 DNA48.146.4
 Solvent42.848.5
 r.m.s.d. of covalently linked atoms (Å2)2.553.45
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)
  • a Values for the highest resolution range are given in parenthesis.

  • b Rmeas is a redundancy independent R‐factor as defined in Diederichs and Karplus (1997).

  • c Phasing power is the mean value of the heavy‐atom structure factor amplitudes divided by the mean lack of closure.

  • d Rcullis is the mean lack of closure divided by the mean isomorphous difference.

  • e Rfree was calculated from a subset of 5% of the data.

  • f Number of residues are given in parentheses.