1LQP

CRYSTAL STRUCTURE OF THE FOSFOMYCIN RESISTANCE PROTEIN (FOSA) CONTAINING BOUND SUBSTRATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	113
Detector technology	CCD
Collection date	2002-06-20
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	56.071, 64.901, 76.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.190
R-factor	0.147 *
Rwork	0.156
R-free	0.18930 *
Structure solution method	MAD
Starting model (for MR)	1lqk
RMSD bond length	0.020 *
RMSD bond angle	2.040 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	1.230
High resolution limit [Å]	1.190	1.190
Rmerge	0.080	0.310
Number of reflections	77910
<I/σ(I)>	15	3.6
Completeness [%]	90.8 *	57.8
Redundancy	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	WELL CONTAINED 40% PENTAERYTHRITOL PROPOXYLATE 629, 0.10M KCL. DROP CONTAINED 0.002 M MNCL2, 0.002M FOSFOMYCIN, 10 MG/ML FOSA, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K