4EUZ

Crystal structure of serratia fonticola carbapenemase SFC-1 S70A-Meropenem complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9702
Spacegroup name	P 21 21 21
Unit cell lengths	59.060, 61.910, 79.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.420 - 1.080
R-factor	0.115
Rwork	0.108
R-free	0.13800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4eqi
RMSD bond length	0.015
RMSD bond angle	0.031
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.732	1.290	1.140
High resolution limit [Å]	1.080	1.210	1.080
Rmerge	0.070
Number of reflections	123160
<I/σ(I)>	16.9
Completeness [%]	99.5	100	99.5
Redundancy	6.8

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