4BKQ

Enoyl-ACP reductase from Yersinia pestis (wildtype)with cofactor NADH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Spacegroup name	P 65 2 2
Unit cell lengths	102.628, 102.628, 214.913
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.980 - 2.300
R-factor	0.1961
Rwork	0.194
R-free	0.22980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zu2
RMSD bond length	0.007
RMSD bond angle	1.080
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.310	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.060	0.820
Number of reflections	30614
<I/σ(I)>	20.1	2.6
Completeness [%]	100.0	100
Redundancy	10.5	11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				1.2-1.5 M SODIUM MALONATE