Table 1. Data-collection statistics for crystals of native and derivatized clitocypin.

Values in parentheses are for the highest resolution shell.

Crystal form	Native	ClitIr1-1 (MAD)	ClitIr1-2 (MAD)	ClitIr1-3 (MAD)	ClitIr2-1 (MAD)	ClitIr2-2 (MAD)	ClitIr2-3 (MAD)	ClitOs1 (SAD)	ClitOs2 (SAD)
Space group	P2	P2	P2	P2	P1	P1	P1	P2	P1
Wavelength (Å)	1.000	1.10565	1.10520	0.9500	1.10565	1.10520	1.0500	1.10697	1.10697
Unit-cell parameters
a (Å)	38.33	46.55	46.55	46.55	34.36	34.36	34.36	33.75	34.25
b (Å)	33.60	58.00	58.00	58.00	45.99	45.99	45.99	57.44	45.70
c (Å)	55.57	58.26	58.26	58.26	47.19	47.19	47.19	34.78	47.19
α (°)	90	90	90	90	108.92	108.92	108.92	90	109.05
β (°)	104.00	111.21	111.21	111.21	91.30	91.30	91.30	111.91	90.90
γ (°)	90	90	90	90	98.81	98.81	98.81	90	98.81
Resolution range (Å)	50–1.55 (1.65–1.55)	50–2.27 (2.40–2.27)	50–2.27 (2.40–2.27)	50–1.95 (2.05–1.95)	50–1.66 (1.80–1.66)	50–1.67 (1.80–1.67)	50–1.65 (1.75–1.65)	50–2.44 (2.55–2.44)	50–2.01 (2.15–2.01)
Mosaicity (°)	1.14	0.44	0.44	0.44	0.42	0.42	0.45	1.38	0.51
Multiplicity	3.8 (3.5)	7.2 (6.8)	7.3 (6.9)	7.2 (6.9)	7.7 (6.2)	7.7 (6.6)	2.0 (2.0)	10.7 (7.2)	3.6 (2.8)
Completeness (%)	99.4 (99.8)	98.1 (89.3)	98.0 (88.7)	97.5 (83.9)	94.0 (71.5)	96.4 (93.9)	88 (94.5)	98.0 (86.1)	95.9 (80.5)
No. of molecules per AU	1	1–2	1–2	1–2	2	2	2	1	2
〈I/σ(I)〉	23.65 (6.92)	49.88 (25.29)	50.76 (26.47)	41.83 (16.19)	40.06 (13.01)	40.26 (13.16)	22.92 (11.52)	61.67 (28.85)	22.20 (12.24)
Rmerge† (%)	7.2 (18.7)	2.2 (6.1)	2.1 (5.9)	2.4 (10.2)	3.1 (21)	3.3 (19.2)	2.5 (5.5)	3.8 (7.7)	2.9 (9.2)

^† R _merge = , where I_i is the observed intensity and 〈I_i〉 is the average intensity over symmetry-equivalent reflections.