TABLE 1.

Crystallographic data collection and refinement statistics

Dataset	E2GFP	E2GFP·Cl	E2GFP·Br	E2GFP·I
Crystallization buffer pH	5.0	5.0	5.0	5.0
Data collection statistics
Temperature (K)	100	100	100	100
Wavelength (Å)	0.93100	0.93400	0.92020	1.54179
Resolution (Å)*	46.60–1.47	28.63–1.40	15.15–1.80	21.63–1.94
	(1.50–1.47)	(1.48–1.40)	(1.90–1.80)	(2.04–1.94)
Total observations	353,369	305,365	107,100	87,857
Unique observations	38,294	43,101	20,664	16,805
Unit cell (Å)†	51.1 62.9 69.6	51.0 63.0 69.4	51.1 62.9 69.2	51.1 62.9 69.1
Completeness (%)*	97.6 (97.6)	96.8 (95.3)	97.7 (95.2)	98.1 (90.1)
Multiplicity*	7.0 (4.5)	7.1 (6.7)	5.2 (5.0)	5.2 (4.5)
Rmerge (%)*‡	7.0 (15.6)	7.2 (39.0)	8.5 (34.1)	11.2 (39.1)
〈I/σ(I)〉*	15.6 (4.1)	17.9 (3.9)	16.4 (3.3)	13.7 (3.1)
Refinement statistics
Rfactor/Rfree (%)¶§	15.7/18.3	17.1/18.3	17.7/20.4	17.9/23.0
RMS deviations
Bond lengths (Å)	0.009	0.010	0.015	0.017
Bond angles (°)	1.58	1.51	1.74	1.83
Number of atoms
Protein	1886	1913	1877	1880
Halide	—	3	4	8
Solvent	237	212	160	156
Average B-factor (Å2)	11.31	15.51	17.67	22.79

^*Number in parentheses are for the highest resolution shell.

^†Space group P2₁2₁2₁.

^‡R_merge = ∑_khl ∑_i|I_i − 〈I〉|/∑_khl ∑_i I_i.

^¶R_fact = ∑_khl|F_o (hkl) – F_c (hkl)|/∑_khl|F_o (hkl)|.

^§R_free was calculated based on 5% of the total data omitted during structure refinement.