. Author manuscript; available in PMC: 2010 Dec 8.

Published in final edited form as: Biochemistry. 2009 Dec 8;48(48):11546–11558. doi: 10.1021/bi901731c

Table 1.

Data collection and refinement statistics.

	SeMet-Ob2843•Mg²⁺	Ob2843•Mg²⁺	Ob2843•Mg²⁺•L-malate	Ob2843•Mg²⁺•L-malate	Y90F•Mg²⁺•Galactarate
Data collection
Space group	P1	I4	I4	P1	I4
No. of molecules/aymmetric unit	8	2	2	8	2
Cell dimensions
a, b, c (Å)	104.6,104.6,104.5	121.2,121.2,120.9	121.2,121.2,122.1	105.6,105.7,105.7	120.0,120.0,122.2
α, β,γ (°)	109.5,109.5,109.5			109.3,109.5,109.7
Resolution limit (Å)	2.0	1.8	1.9	2.2	1.8
No. of unique reflections	220117	79723	69160	170773	79510
R_merge	0.067	0.065	0.084	0.079	0.087
I / σI	18.9	17.1	21.5	15.1	26.9
Completeness (%)	95.5	98.9	99.8	95.7	99.8

Refinement
Resolution (Å)	25.0-2.0	25.0-1.8	25.0-1.9	25.0-2.2	25.0-1.8
R_cryst	0.215	0.208	0.227	0.224	0.194
R_free	0.229	0.234	0.259	0.241	0.223
R.m.s. deviations
Bond lengths (Å)	0.007	0.006	0.007	0.007	0.005
Bond angles (°)	1.3	1.3	1.3	1.4	1.3
No. atoms
Protein	23944	6002	6194	24776	6194
Waters	626	578	246	506	488
Inhibitor			18	72	28
Mg²⁺ ions	16	4	2	8	4
PDB Code	2OQY	3FYY	3ES7	3ES8	3HPF