4WKM

AmpR effector binding domain from Citrobacter freundii bound to UDP-MurNAc-pentapeptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-25
Detector	RAYONIX MX-300
Wavelength(s)	0.9795
Spacegroup name	P 21 21 2
Unit cell lengths	62.700, 183.600, 197.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.956 - 2.150
R-factor	0.2022
Rwork	0.201
R-free	0.25420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kos
RMSD bond length	0.013
RMSD bond angle	1.456
Refinement software	PHENIX ((phenix.refine: 1.9pre_1669))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.330	2.270
High resolution limit [Å]	2.150	2.150
Rmerge	0.096	0.497
Number of reflections	121101
<I/σ(I)>	8.3	3
Completeness [%]	97.7	98
Redundancy	4.1	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	294.15	AmpR-EBD concentration: 4.5 mg/ml, mixed with 5mM UDP-MurNAc-pentapeptide, then crystallized in 10% PEG 3350, 9% glycerol and 100 mM MES pH 6.2.