3ZU2

Structure of the enoyl-ACP reductase FabV from Yersinia pestis with the cofactor NADH (SIRAS)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 65 2 2
Unit cell lengths	104.160, 104.160, 219.140
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.821 - 2.100
R-factor	0.2009
Rwork	0.199
R-free	0.22790
Structure solution method	SIRAS
Starting model (for MR)	NONE
RMSD bond length	0.007
RMSD bond angle	1.136
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	autoSHARP
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.400
High resolution limit [Å]	2.100
Rmerge	0.060	0.620
Number of reflections	48035
<I/σ(I)>	15.8	3
Completeness [%]	99.8	100
Redundancy	7.2	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				1.25M SODIUM MALONATE, 100MM IMIDAZOLE PH 8.25.
1				1.25M SODIUM MALONATE, 100MM IMIDAZOLE PH 8.25.