6O9A

Crystal structure of MqnA complexed with 3-hydroxybenzoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-11
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9180
Spacegroup name	C 2 2 2
Unit cell lengths	143.102, 151.619, 75.035
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.759 - 2.326
R-factor	0.1928
Rwork	0.191
R-free	0.22410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2i6e
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.14_3211)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.360
High resolution limit [Å]	2.320	6.290	2.320
Rmerge	0.070	0.047	0.134
Total number of observations	138300
Number of reflections	34973	1799	1695
<I/σ(I)>	20.5
Completeness [%]	98.9	94.5	97.4
Redundancy	4	3.8	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	0.1 M acetate (pH 5.5), 13% PEG 1500, 2.5 M sodium chloride (NaCl), and 1.5% 2-methyl-2,4-pentanediol (MPD)