1S7I

1.8 A Crystal Structure of a Protein of Unknown Function PA1349 from Pseudomonas aeruginosa

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2003-12-11
Detector	SBC-2
Wavelength(s)	0.9795, 0.9797, 0.94656
Spacegroup name	P 41 3 2
Unit cell lengths	103.437, 103.437, 103.437
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.690 - 1.800
R-factor	0.218
Rwork	0.218
R-free	0.26200
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.400
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.048	0.680
Number of reflections	17179
<I/σ(I)>	41.33	1.71
Completeness [%]	94.8	76.8
Redundancy	9.12	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	1.5M Amm. Sulph., 0.1M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K