3JVV

Crystal Structure of P. aeruginosa PilT with bound AMP-PCP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2006-10-27
Detector	ADSC QUANTUM 315
Wavelength(s)	0.900
Spacegroup name	C 2 2 21
Unit cell lengths	108.483, 119.552, 185.535
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.120 - 2.600
R-factor	0.24667
Rwork	0.244
R-free	0.29136
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ewv
RMSD bond length	0.010
RMSD bond angle	1.434
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.120	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.052	0.422
Number of reflections	35387
<I/σ(I)>	32.6	2.8
Completeness [%]	94.4	93.6
Redundancy	7.4	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	mother liquor: 10% PEG 6000, 0.1 M HEPES, protein buffer contains NaCl, MES, glycerol, MgCl and citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K