Table 2.

Refinement statistics of Br⁻-substituted and I⁻-substituted PSII^A

Refinement	Br−-PSII	I−-PSII
Resolution (Å)	34.7–3.7	20–4.0
Rcryst /Rfree a	0.311/ 0.363	0.289/ 0.325
No. of chainsb	40	40
No. of residuesb	5,404	5,404
No. of prosthetic moleculesb	142	142
Average B-factor (Å2)
Overall structure	171.3	168.5
Br1/Br2 or I1/I2	152.8/182.3	158.8/156.9
Rms deviations
Bond angles (°)	3.6	3.7
Bond lengths (Å)	0.033	0.033

^aRcryst=Σ||F_obs|-|F_calc||/Σ|F_obs|. R_free is the cross-validation of the R-factor for the test-set reflections omitted in refinements.

^bTotal molecule counts for 2 PSII complexes in an asymmetric unit.