2OKA

Crystal structure of Q9HYQ7_PSEAE from Pseudomonas aeruginosa. Northeast Structural Genomics Consortium target PaR82

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97914
Spacegroup name	P 21 21 21
Unit cell lengths	54.161, 81.421, 92.576
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.217
Rwork	0.217
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2obk
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	COMO (1.2)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.590
High resolution limit [Å]	2.500	5.350	2.500
Rmerge	0.065	0.035	0.363
Number of reflections	27010
<I/σ(I)>	14.6
Completeness [%]	99.3	99.9	94.2
Redundancy	3.7	3.8	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH UNDER OIL	6	278	0.1M MgSO4, 0.1M MES pH 6.0, 40% PEG 400. Drop: 2 microliter protein plus 1 microliter mother liquid, mineral oil, MICROBATCH UNDER OIL, temperature 278K