6PWM

ADC-7 in complex with Beta-lactam antibiotic ceftazidime

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	92.261, 81.661, 105.220
Unit cell angles	90.00, 112.61, 90.00

Refinement procedure

Resolution	85.320 - 2.400
R-factor	0.2155
Rwork	0.213
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u0t
RMSD bond length	0.004
RMSD bond angle	1.326
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	97.135	2.408
High resolution limit [Å]	2.400	2.400
Rmerge	0.073	0.663
Number of reflections	55876	545
<I/σ(I)>	11.7	2.1
Completeness [%]	98.7	98.7
Redundancy	3.7	3.88
CC(1/2)	0.998	0.782

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	ADC-7 (3.5mg/mL) in 25% w/v polyethylene glycol (PEG) 1500, 0.1 M succinate/ phosphate/ glycine