1LQO

Crystal Strutcure of the Fosfomycin Resistance Protein A (FosA) Containing Bound Thallium Cations

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-D
Synchrotron site	APS
Beamline	14-BM-D
Temperature [K]	113
Detector technology	CCD
Collection date	2002-02-16
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9780, 0.9789, 0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	55.797, 65.874, 76.958
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.20014
Rwork	0.197
R-free	0.25220 *
Structure solution method	MAD
RMSD bond length	0.019
RMSD bond angle	2.340 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000 *	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.070	0.170
Number of reflections	19809
<I/σ(I)>	25	11
Completeness [%]	96.0	86 *
Redundancy	10.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	WELL CONTAINED 40% PENTAERYTHRITOL PROPOXYLATE 629, 0.08M K2HPO4. DROP CONTAINED 0.002 M MNCL2, 0.002M FOSFOMYCIN, 10 MG/ML FOSA, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K