Table 1.

MmpL11-D2 data collection and refinement statistics

Data collection
Wavelength (Å)	1.54
Resolution range (Å)	53.36 - 2.4 (2.49 – 2.4)
Space group	C2221
Unit cell (Å)	65.60 × 91.73 × 32.85
Unit cell (°)	90 × 90 × 90
Total reflections	23972
Unique reflections	4128
Multiplicity	5.8 (6.1)
Completeness (%)	99.78 (100.00)
Mean I/sigma (I/σ)	20.5 (7.8)
Wilson B-factor (Å2)	25.95
Rmerge#	0.109 (0.290)
Rpim##	0.049 (0.133)
Refinement
Rwork+	0.2077 (0.2132)
Rfree++	0.2537 (0.2519)
No. of atoms	612
No. of iodides	9
No. of waters	16
No. of protein residues	80
R.m.s.d., bonds (Å)	0.003
R.m.s.d., angles (°)	0.73
Ramachandran favored (%)	96
Ramachandran outliers (%)	0
B-factor (Å2)
Average	37.5
Macromolecules	37.4
Solvent	32.8
Ligands	44.6
PDB code	4Y0L

Statistics for the highest-resolution shell are shown in parentheses.

^#R_merge = Σ Σ_i |I_i − (I)| / Σ Σ_i I_i

^##R_pim = Σ {1/[N−1]}^1/2Σ_i|I_i − (I)| / Σ Σ_i I_i

⁺R_work = Σ ||F_obs| − |F_calc||/ Σ |F_obs|

⁺⁺R_free was computed identically except all reflections belonged to a test set consisting of a 5% random selection of the data.