6UVK

OXA-48 bound by inhibitor CDD-97

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00001
Spacegroup name	P 65
Unit cell lengths	123.054, 123.054, 161.329
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.690 - 2.200
R-factor	0.1859
Rwork	0.184
R-free	0.22290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hbr
RMSD bond length	0.003
RMSD bond angle	0.716
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.690	2.278
High resolution limit [Å]	2.200	2.200
Rmerge	0.091	1.031
Rmeas	0.096
Rpim	0.032	0.380
Number of reflections	65748	4164
<I/σ(I)>	24.76
Completeness [%]	93.8
Redundancy	8.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.77M Tris pH 8, 27% PEG550 MME