. Author manuscript; available in PMC: 2015 Oct 29.

Published in final edited form as: J Mol Biol. 2007 Mar 6;368(5):1321–1331. doi: 10.1016/j.jmb.2007.02.085

Table 1.

Data collection and refinement statistics for the RF61 Fab-IgG1 Fc complex

Data collection ESRF, ID14-EH1
Space group	C2
Unit cell (Å)	242.0, 75.6, 102.4, β = 91.1°
Resolution (Å)	25.0-3.0 (3.11-3.00)
Observations	132,372
Unique reflections	36,545
Completeness (%)	97.9 (93.8)
I/σI	14.1 (3.2)
R_merge (%)	8.1 (42.4)
Refinement statistics
Work reflections/test reflections	33,432/2563 (all with \|F\| >2 σ)
R_cryst. (%)/R_free (%)	22.4/28.8
No. of protein atoms	9819
No. of carbohydrate atoms	220
No. of waters	84
Anisotropic B correction (Å²)	37.8; –15.9; –21.9; 0.0; –6.6; 0.0
R.m.s. deviation from ideal
Bond lengths (Å)	0.008
Bond angles (°)	1.4
Dihedral angles (°)	25.6
Improper angles (°)	0.95

	Fc-A C_H2	Fc-A C_H3	Fc-B C_H2	Fc-B C_H3	Fab-1 V_HV_L	Fab-1 C_H1C_L	Fab-2 V_HV_L	Fab-2 C_H1C_L
Average B-factor (Å²)	37.0	41.2	86.6	39.1	60.6	99.0	56.2	95.6
Ramachandran quality:
Most favored (%)	88.8	84.8	70.7	87.8	77.9	57.0	80.5	56.7
Additionally favored (%)	11.2	15.2	28.3	12.2	18.4	33.3	16.8	32.2
Generously allowed (%)	0	0	1.1	0	2.1	6.7	1.6	8.8
Disallowed (%)	0	0	0	0	1.6	3.0	1.1	2.3