1OQW

Full-Length PAK Pilin from Pseudomonas aeruginosa

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	2000-06-28
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9791
Spacegroup name	C 1 2 1
Unit cell lengths	147.015, 44.422, 73.782
Unit cell angles	90.00, 116.82, 90.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.225
Rwork	0.223
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1DZO.pdb
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.079	0.329 *
Total number of observations	324152 *
Number of reflections	29308 *
<I/σ(I)>	14.8	2.4
Completeness [%]	97.2	83.6
Redundancy	3.24	2.28

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	5.6	293	15% MPD, 35% PEG 4000, 100 mM sodium citrate, 2.5 mM MnCl2, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	reservoir	MPD	15 (%)
3	1	reservoir	PEG4000	35 (%)
4	1	reservoir	sodium citrate	100 (mM)	pH5.6
5	1	reservoir		2.5 (mM)