5BUW

Crystal Structure of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) from Yersinia Pestis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-20
Detector	ADSC QUANTUM 315
Wavelength(s)	1.07
Spacegroup name	P 63
Unit cell lengths	104.075, 104.075, 88.325
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.170 - 1.800
R-factor	0.17431
Rwork	0.173
R-free	0.19658
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zhg
RMSD bond length	0.027
RMSD bond angle	2.319
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.063	0.413
Number of reflections	49818
<I/σ(I)>	16.1	1.8
Completeness [%]	98.9	88.9
Redundancy	17.2	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	20% PEG 3350, 8% Tacsimate pH 8.0, 400mM Sodium Thiocyanate