6DPX

X-ray crystal structure of AmpC beta-lactamase with 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	PIXEL
Collection date	2017-10-11
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.11583
Spacegroup name	I 1 2 1
Unit cell lengths	98.018, 77.697, 115.945
Unit cell angles	90.00, 113.34, 90.00

Refinement procedure

Resolution	58.277 - 1.900
R-factor	0.173
Rwork	0.171
R-free	0.20370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ke4
RMSD bond length	0.007
RMSD bond angle	0.855
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	MOLREP
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.760	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.053	0.358
Rmeas	0.058	0.402
Rpim	0.023	0.177
Number of reflections	60738	2863
<I/σ(I)>	19.6
Completeness [%]	96.4	71.1
Redundancy	6.4	5
CC(1/2)	0.999	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.6	294	1.7M potassium phosphate, pH 8.7