3GQZ

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
Spacegroup name	C 1 2 1
Unit cell lengths	119.346, 74.655, 98.948
Unit cell angles	90.00, 116.58, 90.00

Refinement procedure

Resolution	38.690 - 1.800
R-factor	0.191
Rwork	0.190
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ke4
RMSD bond length	0.006
RMSD bond angle	1.090
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	PHASER
Refinement software	REFMAC (refmac_5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.189	1.900
High resolution limit [Å]	1.800	1.800
Rmerge		0.445
Number of reflections	71462
<I/σ(I)>		1.2
Completeness [%]	99.2	97.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.7	294	1.7M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 294K, temperature 294.0K