6EDM

Structure of apo-CDD-1 beta-lactamase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 43 3 2
Unit cell lengths	123.201, 123.201, 123.201
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.960 - 1.400
R-factor	0.155
Rwork	0.154
R-free	0.18120
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.000	1.420
High resolution limit [Å]	1.400	1.400
Rmeas	0.071	0.949
Rpim	0.020	0.265
Number of reflections	63142
<I/σ(I)>	19.3	2.7
Completeness [%]	99.9	98.3
Redundancy	12.8	12.4
CC(1/2)	0.999	0.841

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.1 M HEPES, pH 7.0, 3.0 M ammonium sulfate