Table 2.

Data collection and refinement statistics for the NCX_Mj structures obtained from crystals soaked with varying amounts of Na⁺, and no Ca²⁺, and at low pH and no Na⁺ or Ca²⁺.

[Na+]	2.5 mM PDB 5HWX	10 mM PDB 5HWY	20 mM PDB 5HXC	100 mM PDB 5HXE	150 mM PDB 5HYA	0 mM PDB 5HXH
Data collection
Space group	P212121					C2
Cell dimensions
a, b, c (Å)	49.70, 72.28, 95.78	46.21, 71.97, 95.63	49.75, 72.56, 95.78	49.77, 72.85, 96.36	49.49, 72.88, 96.21	164.18, 46.83, 96.96
α, β, γ (°)	90, 90, 90	90, 90, 90	90, 90, 90	90, 90, 90	90, 90, 90	90, 106.20, 90
Resolution (Å)	2.40 (2.44-2.40)	2.10 (2.14-2.10)	2.10 (2.14-2.10)	2.28 (2.32-2.28)	1.90 (1.93-1.90)	2.80 (2.85-2.80)
Rsym (%)	9.4 (99.4)	9.3 (69.8)	10.5 (99.6)	9.9 (56.3)	8.6 (88.0)	10.5 (94.3)
I/σI	24.2 (1.8)	24.3 (2.7)	20.6 (1.9)	15.9 (2.8)	32.9 (2.4)	17.7 (1.2)
CC1/2	(0.625)	(0.819)	(0.602)	(0.722)	(0.786)	(0.561)
Completeness (%)	99.8 (99.1)	99.9 (100)	99.9 (99.8)	96.4 (98.6)	98.9 (97.8)	99.9 (99.9)
Redundancy	6.9 (6.7)	6.1 (6.0)	7.1 (7.0)	3.4 (3.3)	9.3 (8.9)	7.1 (5.7)
Refinement
Resolution (Å)	50-2.4	50-2.1	50-2.1	50-2.3	50-1.9	50-2.80
No. reflections	13977	19254	20739	15767	27923	21489
Rwork/Rfree	0.21/0.25	0.19/0.22	0.19/0.23	0.19/0.24	0.179/0.207	0.20/0.26
No. atoms
Protein	2206	2274	2366	2229	2229	4410
Ligand/Ion	56/3	154/2	161/5	162/6	257/4	121/2
Water	18	36	67	67	100	39
B-factors
Protein	53.25	34.28	34.91	39.75	26.05	42.98
Ligand/Ion	62.94/47.70	55.86/31.75	55.25/36.47	58.24/38.93	46.11/22.13	54.29/63.47
Water	58.12	41.16	46.97	49.74	37.80	33.17
R.m.s deviations
Bond lengths (Å)	0.004	0.006	0.008	0.003	0.006	0.003
Bond angles (°)	0.819	0.915	1.269	1.024	0.966	0.705

Values in parenthesis are for highest resolution shell. 5% of the data was used in the R_free calculation. ‘Ligand’ atoms are from lipids, PEG400 and acetates.