4QD4

Structure of ADC-68, a Novel Carbapenem-Hydrolyzing Class C Extended-Spectrum -Lactamase from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	56.393, 71.006, 179.473
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.500 - 1.800
R-factor	0.19085
Rwork	0.188
R-free	0.23559
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.982
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Number of reflections	65468
Completeness [%]	96.2	90.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	287	0.1M carboxylic acids, 0.1M buffer system 1 pH 6.5, 30% P550MME_P20K, VAPOR DIFFUSION, SITTING DROP, temperature 287K