3GV9

AmpC beta-lactamase in complex with Fragment-based Inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-01-25
Detector	ADSC QUANTUM 210
Wavelength(s)	1.1
Spacegroup name	C 1 2 1
Unit cell lengths	118.166, 78.329, 97.711
Unit cell angles	90.00, 116.59, 90.00

Refinement procedure

Resolution	32.500 - 1.800
R-factor	0.212
Rwork	0.210
R-free	0.24600
RMSD bond length	0.008
RMSD bond angle	1.293
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.083	0.061	0.419
Number of reflections	72632
<I/σ(I)>	13.95
Completeness [%]	97.9	99.5	99.9
Redundancy	3.6	3.7	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	400mM KPi at pH 8.5 with 25% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K