3NIQ

Crystal structure of Pseudomonas aeruginosa guanidinopropionase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-30
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9999
Spacegroup name	P 21 3
Unit cell lengths	123.961, 123.961, 123.961
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.070
R-factor	0.18683
Rwork	0.185
R-free	0.22788
Structure solution method	MIR
Starting model (for MR)	3nio
RMSD bond length	0.011
RMSD bond angle	1.198
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.070
Rmerge	0.097
Number of reflections	38934
<I/σ(I)>	30.6
Completeness [%]	100.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	297	0.1M MES at pH 6.5, 12% (w/v) PEG 20000, VAPOR DIFFUSION, SITTING DROP, temperature 297K