TABLE 1.

Data collection, phasing, and refinement statistics

Data collection
Protein name	Psu-WT	T123C-ΔCys-Psu
Space group	I422	I422
Cell dimension
a, b, c	148.75, 148.75, 63.37	149.61, 149.61, 62.7
α, β, γ	90.0, 90.0, 90.0°	90.0, 90.0, 90.0°
Resolution (Å)a	47.04–2.04 (2.11–2.04)	47.31–3.00 (3.78–3.00)
Rmerge	0.057 (0.343)	0.116 (0.463)
I/σ(I)	13.4 (3.7)	6.2 (2.0)
Completeness (%)	98.5 (92.0)	95.5 (96.4)
Redundancy	4.8 (4.6)	3.0 (3.0)
Refinement
Protein name	Psu-WT	T123C-ΔCys-Psu
Resolution (Å)	47.04–2.04	47.31–3.00
Rcryst/Rfree	19.2/21.9	23.11/27.66
No. of atoms	1705	1480
Protein	1479	1480
Ligand	10
Water
B-factor (Å2)	216
Average	36.53	58.13
Protein	35.79	58.13
Ligand	31.42
Water	40.52
Root mean square deviations
Bond length (Å)	0.007	0.011
Bond angles	0.9°	1.2°
Ramachandran statistics (%)
Most favored	97.7	97.3
Additionally allowed	2.3	2.7
Disallowed	0	0

^a Numbers in parentheses refer to the highest resolution shell with all data collected from a single crystal.