4LDA

Crystal structure of a CheY-like protein (tadZ) from Pseudomonas aeruginosa PAO1 at 2.70 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979529,0.918401,0.979188
Spacegroup name	P 1 21 1
Unit cell lengths	96.891, 86.947, 97.486
Unit cell angles	90.00, 107.45, 90.00

Refinement procedure

Resolution	47.962 - 2.400
R-factor	0.1991
Rwork	0.198
R-free	0.22600
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.130
Data reduction software	XDS
Data scaling software	XSCALE (March 15, 2012)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.962	47.960	2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.073	0.022	2.108
Number of reflections	59828	685	4455
<I/σ(I)>	9.57	32.6	0.61
Completeness [%]	98.7	94.1	99.8
Redundancy	2.9		2.95

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	0.010M nickel (II) chloride, 0.70M lithium sulfate, 0.1M TRIS pH 9.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K