4O6V

Crystal Structure of a 3-oxoacyl-[acyl-carrier protein] reductase (EC 1.1.1.100) from Brucella suis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-30
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 21 21 21
Unit cell lengths	70.890, 108.360, 115.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.850
R-factor	0.1476
Rwork	0.146
R-free	0.18070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hq1
RMSD bond length	0.013
RMSD bond angle	1.501
Data scaling software	XSCALE
Phasing software	PHASER (2.5.5)
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.058	0.023	0.463
Number of reflections	76352	910	5584
<I/σ(I)>	19.57	51.48	3.74
Completeness [%]	99.8	94	100
Redundancy	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	MCSG1(b10): 01M MgCl2, 0.08M Tris-HCl, pH=8.5, 24% PEG-400, 20% glyercol, VAPOR DIFFUSION, SITTING DROP, temperature 289K