Table 1.

Data collection and refinement statistics BtSpeG. Statistics for the highest-resolution shell are shown in parentheses.

	BtSpeG	BtSpeG with spermine
Resolution range	8.86 – 2.80 (2.80 – 2.67)	29.87 – 2.5 (2.59 – 2.5)
Space group	P 63 2 2	P 1 21 1
Unit cell	159.72 159.72 106.46 90 90 120	100.65 125.60 101.02 90 106.50 90
Total reflections	589520	488797
Unique reflections	23127 (3001)	83267 (4568)
Multiplicity	25.5 (27.1)	5.9 (6)
Completeness (%)	99.00 (99.56)	99.92 (100.00)
Mean I/sigma(I)	3.2	1.9
Wilson B-factor	42.09	39.53
R-merge	0.315 (1.476)	0.114 (0.901)
R-meas	0.325 (1.529)	0.139 (1.106)
R-pim	0.089 (0.411)	0.079 (0.633)
CC1/2	0.998 (0.734)	0.995 (0.662)
Reflections in refinement	23031 (2261)	83235 (8299)
Reflections for R-free	1170 (106)	4214 (370)
R-work	0.2748 (0.3997)	0.2259 (0.3008)
R-free	0.2962 (0.4301)	0.2522 (0.3377)
Non-hydrogen atoms	2842	16935
macromolecules	2842	16767
ligands	-	168
Protein residues	334	2004
RMS(bonds)	0.004	0.003
RMS(angles)	0.66	0.57
Ramachandran
favored	97.27	97.07
allowed (%)	2.73	2.93
outliers (%)	0.00	0.00
Rotomer outliers (%)	0.33	0.45
Clashscore	3.24	6.51
Average B-factor	45.32	42.93
macromolecules	45.32	42.98
ligands	-	37.39