4Z0T

Crystal Structure of a putative oxoacyl-(acyl carrier protein) reductase from Brucella ovis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	I 41 2 2
Unit cell lengths	80.210, 80.210, 145.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.105 - 1.500
R-factor	0.1516
Rwork	0.150
R-free	0.18540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f5q
RMSD bond length	0.006
RMSD bond angle	0.988
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX ((phenix.refine: dev_1932))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.066	0.051	0.484
Rmeas	0.073	0.058	0.534
Total number of observations	216173
Number of reflections	38065	459	2804
<I/σ(I)>	14.66	28.96	3.38
Completeness [%]	99.4	90.4	99.9
Redundancy	5.7		5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	BrovA.01365.c.B1.PS02315 at 20.8mg/ml mixed 1:1 with Morpheus(B6): 10% PEG-8000, 20% ethylene glycol, 0.1 M MOPS/ HEPES-Na, pH 7.5, 0.03 M each sodium fluoride, sodium bromide, sodium iodide