3OYT

1.84 Angstrom resolution crystal structure of 3-oxoacyl-(acyl carrier protein) synthase I (fabB) from Yersinia pestis CO92

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	2010-07-31
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 21 21 2
Unit cell lengths	109.649, 114.613, 59.157
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.580 - 1.840
R-factor	0.15727
Rwork	0.155
R-free	0.19294
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SAD model of the data set collected on 21-ID-G
RMSD bond length	0.014
RMSD bond angle	1.659
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.880
High resolution limit [Å]	1.840	1.840
Rmerge	0.127	0.592
Number of reflections	64383
<I/σ(I)>	13.13	2.55
Completeness [%]	99.6	97.3
Redundancy	5.7	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	Crystallization condition: 20%PEG 8K, 0.05M K dihydrogen Phosphate. Paratone-N was used as cryoprotectant, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	7	295	Crystallization condition: 20%PEG 8K, 0.05M K dihydrogen Phosphate. Paratone-N was used as cryoprotectant, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K