1TE5

The 2.0 Angstrom crystal structure of predicted glutamine amidotransferase from Pseudomonas aeruginosa PA01

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-03-22
Detector	RIGAKU RAXIS IV
Spacegroup name	P 21 21 21
Unit cell lengths	61.630, 66.600, 131.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.243
Rwork	0.243
R-free	0.27800
Structure solution method	MIR
RMSD bond length	0.008
RMSD bond angle	1.400
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.079	0.260
Number of reflections	32917
<I/σ(I)>	9.7	2.2
Completeness [%]	87.8	43.6
Redundancy	29.4	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	280	0.1M HEPES, 28% PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K, pH 7.50
1		7.5	280	0.1M HEPES, 28% PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K, pH 7.50