6FJ1

Structure of the Ldtfm-avibactam carbamoyl enzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97857
Spacegroup name	C 1 2 1
Unit cell lengths	208.540, 131.970, 70.090
Unit cell angles	90.00, 90.14, 90.00

Refinement procedure

Resolution	48.040 - 2.690
R-factor	0.1987
Rwork	0.197
R-free	0.22820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zat
RMSD bond length	0.017
RMSD bond angle	2.046
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.040	2.850
High resolution limit [Å]	2.690	2.690
Rmeas	0.130	1.240
Number of reflections	52058	8090
<I/σ(I)>	7.62	1.03
Completeness [%]	99.0	96.2
Redundancy	3.41	3.39
CC(1/2)	0.990	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	Potassium nitrate, PEG 3350