Table 3. R.m.s. deviations between various subsets of wild-type RNase A structures.

Average r.m.s. deviations are followed by estimated standard deviations in parentheses.

	Single or average pairwise r.m.s. deviations (Å)
	Overall	A domain	B domain	Maximum deviation (Å)	Residue
Our structure	0.65	0.34	0.64	2.47	22
1u1b	0.58	0.31	0.60	1.82	88
3dxg	0.67	0.51	0.72	3.27	21
Our structure versus3dxg	0.77 (0.06)	0.48 (0.20)	0.77 (0.16)	4.57	1
Average of 29 apo structures	0.45 (0.16)	0.34 (0.12)	0.42 (0.18)	4.08	1
Average of 28 ligated structures	0.55 (0.16)	0.37 (0.14)	0.61 (0.19)	5.37	1
Range of 29 apo structures	0.06–0.87	0.04–0.73	0.05–1.00
Range of 28 ligated structures	0.13–0.98	0.06–0.83	0.13–1.02
Apo versus ligated structures	0.55 (0.15)	0.38 (0.11)	0.57 (0.19)	5.18	1
Average of all 57 structures	0.53 (0.16)	0.37 (0.12)	0.55 (0.20)	5.37	1
C2 structures (average cell: a = 100.5, b = 32.8, c = 72.7 Å, β = 90.4°)
Average of all 24 structures	0.50 (0.18)	0.34 (0.16)	0.56 (0.19)	4.68	20
Average of 8 apo structures	0.44 (0.18)	0.32 (0.14)	0.48 (0.19)	3.89	20
Average of 16 ligated structures	0.49 (0.18)	0.32 (0.18)	0.56 (0.20)	4.50	20
P21 (small) (average cell: a = 30.1, b = 38.0, c = 53.2 Å, β = 106.9°)
Average of all 19 structures	0.26 (0.12)	0.21 (0.06)	0.25 (0.16)	1.91	1
Average of 15 apo structures	0.27 (0.13)	0.21 (0.07)	0.26 (0.18)	1.90	21
Average of 4 ligated structures	0.19 (0.03)	0.19 (0.04)	0.19 (0.02)	1.38	1
P21 (large a) (average cell: a = 33.8, b = 100.8, c = 31.3 Å, β = 100.2°)
Average of 4 apo structures	0.47 (0.10)	0.40 (0.08)	0.30 (0.08)	2.35	1
P21 (large b) (average cell: a = 30.9, b = 75.4, c = 51.2 Å, β = 107.1°)
Average of 4 ligated structures	0.58 (0.16)	0.30 (0.07)	0.58 (0.17)	2.47	22
P3221 (average cell: a = b = 65.3, c = 65.4 Å)
Average of all 4 structures	0.36 (0.14)	0.23 (0.06)	0.34 (0.12)	2.42	21
Average of 3 ligated structures	0.24 (0.03)	0.18 (0.05)	0.23 (0.01)	1.32	21
P212121 (average cell: a = 44.4, b = 73.4, c = 43.6 Å)
R.m.s. deviation between 2 structures	0.50	0.45	0.49	2.15	1
Structure series (all one molecule per asymmetric unit)
Average in temperature structure series†	0.22 (0.06)	0.21 (0.06)	0.19 (0.06)	1.08	1
Average in pH structure series‡	0.08 (0.03)	0.06 (0.02)	0.09 (0.04)	0.52	102
Average in ionic strength structure series§	0.19 (0.04)	0.12 (0.03)	0.19 (0.04)	1.82	21

^†The temperature series is nine structures in P2₁ (small): 1rat, 2rat, 3rat, 4rat, 5rat, 6rat, 7rat, 8rat and 9rat (Tilton et al., 1992 ▶).

^‡The pH series is six structures in P2₁ (small): 1kf2, 1kf3, 1kf4, 1kf5, 1kf7 and 1kf8 (Berisio et al., 2002 ▶).

^§The ionic strength series is six structures in P3₂21: 1rno, 1rnq, 1rnw, 1rnx, 1rny and 1rnz (Fedorov et al., 1996 ▶).