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. Author manuscript; available in PMC: 2013 May 21.

Published in final edited form as: Sci Transl Med. 2012 Sep 5;4(150):150ra121. doi: 10.1126/scitranslmed.3004395

Table 1.

Data collection and refinement statistics for DprE1 structures

	Native	BTZ043 complex
Data collection
Space group	P3₂21	P2₁2₁2₁
Cell dimensions
a, b, c (Å)	64.1, 64.1, 191.2	39.92, 64.31, 202.84
α, β, γ (°)	90.00, 90.00, 120.00	90.00, 90.00, 90.00
Resolution (Å)	60.00-2.10	50.00-2.62
R _meas	5.7 (46.6)	13.8 (68.3)
I/ σI	14.7 (3.0)	11.6 (2.5)
Completeness (%)	99.9 (99.9)	98.60 (91.3)
Redundancy	4.9 (4.6)	4.80 (4.3)
Refinement
Resolution (Å)	60.00-2.10	50.00-2.62
No. reflections	26,106	15,505
R_work / R_free	0.20/0.27	0.20/0.24
No. atoms
Protein	3229	3229
Ligand/ion	53	87
Water	95	88
B-factors
Protein	45.4	35.7
Ligand/ion	32.7	34.2
Water	43.6	29.9
R.m.s. deviations
Bond lengths (Å)	0.015	0.006
Bond angles (°)	2.031	1.108

One crystal was used for each structure. Values in parentheses are for highest-resolution shell.