Table 1. Data-collection and refinement statistics.

Values in parentheses are for the highest resolution bin of approximate width 0.1 Å.

Data collection
Space group	P212121
Unit-cell parameters (Å)	a = 48.9, b = 86.3, c = 134.0
Resolution range (Å)	45–1.8
Unique reflections	53553
Completeness (%)	100 (100)
〈I/σ(I)〉	18.0 (3.5)
Multiplicity	6.0 (6.0)
R merge † (%)	7.1 (48.8)
Refinement
No. of reflections used	50629
R work ‡ (%)	15.7
R free § (%)	20.8
Protein atoms	5140
Molecules and ions present
Water	700
PGA	2
Cl−	2
R.m.s. deviations from ideal geometry
Bond lengths (Å)	0.015
Bond angles (°)	1.44
Thermal parameters (Å2)
Wilson B	18.4
Mean B
Protein	19.3
Water	33.1
PGA	33.4
Cl−	15.7
Ramachandran plot¶ (%)
Favoured	97.2
Allowed	2.8

^† R _merge = .

^‡ R _work = , where F _obs is the observed structure factor and F _calc is the calculated structure factor.

^§ R _free is the same as R _work, except calculated using 5% of the data that were not included in any refinement calculations.

^¶Ramachandran analysis from Coot.