2B4Q

Pseudomonas aeruginosa RhlG/NADP active-site complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	170
Detector technology	CCD
Collection date	2005-03-24
Detector	MARRESEARCH
Wavelength(s)	0.976250
Spacegroup name	C 2 2 21
Unit cell lengths	73.138, 142.610, 95.684
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.214
Rwork	0.212
R-free	0.26400
Structure solution method	SAD (crystal 2) followed by molecular replacement (crystal 1)
RMSD bond length	0.008
RMSD bond angle	1.200
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS ((CRYSTAL 2))
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.117	0.341
Number of reflections	22417
<I/σ(I)>	5.1	2.3
Completeness [%]	99.1	98.7
Redundancy	7.4	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	290	0.1 M HEPES pH 7.0, 0.3 M Ammonium Sulfate, 12 % PEG 4K, VAPOR DIFFUSION, temperature 290K
1	VAPOR DIFFUSION	7	290	0.1 M HEPES pH 7.0, 0.3 M Ammonium Sulfate, 12 % PEG 4K, VAPOR DIFFUSION, temperature 290K