4EQI

Crystal structure of serratia fonticola carbapenemase SFC-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX10.1
Synchrotron site	SRS
Beamline	PX10.1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-05-01
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.117
Spacegroup name	P 1 21 1
Unit cell lengths	42.330, 85.430, 70.280
Unit cell angles	90.00, 103.27, 90.00

Refinement procedure

Resolution	17.850 - 1.380
R-factor	0.141
Rwork	0.140
R-free	0.18800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ov5
RMSD bond length	0.010
RMSD bond angle	0.029
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.430
High resolution limit [Å]	1.380	2.970	1.380
Rmerge	0.064	0.023	0.568
Number of reflections	99419
<I/σ(I)>	18.234	46.03	2.03
Completeness [%]	99.6	99.4	99.4
Redundancy	3.6	3.8	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	Na acetate, PEG 3350, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K