. Author manuscript; available in PMC: 2010 Dec 18.

Published in final edited form as: J Mol Biol. 2009 Oct 23;394(5):843–851. doi: 10.1016/j.jmb.2009.10.016

Table 1.

Crystallographic and refinement data.

Crystal	MetRS-SLL	MetRS-SLL:Met	MetRS-SLL:Anl	M547
X-ray source	ESRF-id14eh2	ESRF-id14eh2	ESRF-id14eh2	SOLEIL-Proxima1
Data collection wavelength (Å)	0.933	0.933	0.933	0.980
Space Group	P2₁	P2₁	P2₁	P2₁
Cell Parameters: a,b,c,(Å); β (°)	78.20, 45.26, 85.99; 107.28	78.17, 45.29, 85.87; 107.25	78.26, 45.38, 85.89; 107.24	78.89, 45.40, 86.21; 107.30
Unique reflections	59 541	111 291	86282	109028
Resolution (Å)	1.7	1.4	1.5	1.4
Completeness (%)/Redundancy	93.4/2.5	98.0/2.8	93.1/3.1	94.7/3.1
Rsym (I) (%)¹	2.3 (4.2)	2.5 (7.5)	2.6 (9.4)	5.7 (30.0)
R/Free-R² (%)	15.9/18.2	16.8/18.0	16.5/18.8	16.5/19.1
rmsd bonds (Å)/angles (°)	0.0046/1.2	0.0043/1.2	0.0044/1.2	0.006/1.1
Residues in model	4–547, 983 waters, 2 citrates, 1 Zn	4–547, 1047 waters, 2 citrates, 1 Zn, 1 Met	4–547, 1161 waters, 2 citrates, 1 Zn, 1 Anl	4–547, 1095 waters, 1 citrate, 1 Zn
Mean Bvalues enzyme residues/Zn/solvent/ligand	8.0/6.0/23.9/-	8.0/5.8/20.7/9.7	8.6/6.0/24.8/11.2	12.5/26.5/9.8/-

Values in parentheses are R_sym (I) in the highest shell of resolution.

R_free was calculated with 6% of the reflections.