1LR0

Pseudomonas aeruginosa TolA Domain III, Seleno-methionine Derivative

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-04-30
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9791, 0.9611
Spacegroup name	P 63 2 2
Unit cell lengths	78.477, 78.477, 97.674
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.840 - 1.914
R-factor	0.181 *
Rwork	0.181
R-free	0.23300 *
Structure solution method	MAD
RMSD bond length	0.024 *
RMSD bond angle	2.060 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.840	2.010
High resolution limit [Å]	1.914	1.940 *
Rmerge	0.083	0.322
Total number of observations	263045 *
Number of reflections	13441
<I/σ(I)>	16.1	2.7
Completeness [%]	98.8	94.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	5% wt/v PEG 6000, 100 mM TrisCl, pH 8.0, and 1 mM ZnSO4, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)	pH8.0
3	1	drop	octyl-glucoside	0.05 (%(w/v))
4	1	reservoir	PEG6000	5 (%(w/v))
5	1	reservoir	Tris-HCl	100 (mM)	pH8.0
6	1	reservoir		1 (mM)