1N2F

CRYSTAL STRUCTURE OF P. AERUGINOSA OHR

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9A
Synchrotron site	NSLS
Beamline	X9A
Temperature [K]	100
Detector technology	CCD
Collection date	2002-02-26
Detector	MARRESEARCH
Wavelength(s)	0.979,0.979,0.961
Spacegroup name	P 1 21 1
Unit cell lengths	39.911, 77.510, 43.079
Unit cell angles	90.00, 116.28, 90.00

Refinement procedure

Resolution	8.000 * - 2.000 *
R-factor	0.22
Rwork	0.220
R-free	0.25000 *
Structure solution method	MAD
RMSD bond length	0.005 *
RMSD bond angle	1.310 *
Data reduction software	DENZO
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.090
High resolution limit [Å]	2.000	2.000
Rmerge	0.053 *
Number of reflections	29936
Completeness [%]	97.9 *	96.5
Redundancy	2.1 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	293	pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	Tris	5 (mM)	pH8.0
3	1	drop	dithiothreitol	5 (mM)
4	1	reservoir	sodium acetate	0.2 (M)
5	1	reservoir	PEG5000 MME	30 (%)
6	1	reservoir	Tris	0.1 (M)	pH8.0