6PQC

Structure of cefotaxime-CDD-1 beta-lactamase complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.195
Spacegroup name	P 43 3 2
Unit cell lengths	123.513, 123.513, 123.513
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.058 - 2.100
R-factor	0.1758
Rwork	0.173
R-free	0.21870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6edm
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.100	2.160
High resolution limit [Å]	2.100	2.100
Rmeas	0.175
Rpim	0.056	0.490
Number of reflections	19410	1542
<I/σ(I)>	10.4	1.7
Completeness [%]	99.9
Redundancy	10.6
CC(1/2)		0.568

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M HEPES, pH 7.0, 3.0 M ammonium sulfate