9KWD

Crystal structure of E.coli LysU complexing with LysSA and ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-04
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97855
Spacegroup name	P 61 2 2
Unit cell lengths	146.849, 146.849, 182.025
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.070 - 3.490
R-factor	0.2259
Rwork	0.224
R-free	0.25390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.352
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.740
High resolution limit [Å]	2.650	2.650
Rmerge	0.097	0.411
Number of reflections	33187	3256
<I/σ(I)>	17.09
Completeness [%]	86.4	67.4
Redundancy	11.3	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	291.15	Magnesium chloride, Sodium acetate, PEG400