7N1M

Crystal Structure of the Class D Beta-lactamase OXA-935 from Pseudomonas aeruginosa, Orthorhombic Crystal Form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-05
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.12713
Spacegroup name	P 21 21 21
Unit cell lengths	47.675, 91.377, 125.788
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.770 - 1.960
R-factor	0.1889
Rwork	0.187
R-free	0.23110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e3u
RMSD bond length	0.006
RMSD bond angle	1.415
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.147	1.754
Rmeas	0.154
Rpim	0.046	0.544
Number of reflections	40444	2011
<I/σ(I)>	19.4	1.97
Completeness [%]	99.8	100
Redundancy	11.1	10.9
CC(1/2)	0.994	0.538

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	292	Protein: 6.0 mg/ml, 0.01M Tris pH 8.3; Screen - AmSO4 (A9): 0.2M Ammonium iodide, 2.2M Ammonium sulfate; Cryo: 2M Lithium sulfate