7AL5

Crystal structure of the selenomethionine substituted hypothetical protein PA1622 from Pseudomonas aeruginosa PAO1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-14
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.976000
Spacegroup name	P 61
Unit cell lengths	136.308, 136.308, 148.211
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.930 - 2.420
R-factor	0.1671
Rwork	0.164
R-free	0.23040
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.750
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SHELXCD
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.930	2.480
High resolution limit [Å]	2.420	2.420
Rmerge	0.430	2.555
Rmeas	0.450	2.711
Rpim	0.094	0.633
Number of reflections	59611	4580
<I/σ(I)>	10.2	1.3
Completeness [%]	99.6
Redundancy	22.9
CC(1/2)	0.988	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1M HEPES pH7 5% PEG 6000