Table 1.

Crystallographic Data and Refinement Statistics. Statistics in parentheses refer to the highest resolution shell (1.85–1.92 Å).

	Native	Bromide Derivative
Data collection
Wavelength (Å)	1.1159	0.9200
Space group	P43212	P43212
Cell dimensions
a, b, c (Å)	67.0, 67.0, 186.2	67.5, 67.5, 186.3
Resolution (Å)	50–1.85	50–2.60
Rmerge	0.076 (0.659)	0.131(0.459)
I/σ(I)	42.5 (2.5)	31.8 (4.7)
Completeness (%)	100 (100)	99.9 (99.9)
Redundancy	14.0 (14.2)	10.8 (9.9)
Refinement
Resolution (Å)	50–1.85
No. reflections	37,089
Rwork/Rfree	0.197/0.227
No. atoms
Protein	1,990
Water	247
Chloride	1
B-factors (Å2)
Protein	31
Water	42
Chloride	30
R.m.s. deviations
Bond lengths (Å)	0.019
Bond angles (°)	1.8