7L5R

Crystal Structure of the Oxacillin-hydrolyzing Class D Extended-spectrum Beta-lactamase OXA-14 from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2020-05-13
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	48.813, 96.346, 125.137
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.750 - 1.650
R-factor	0.1648
Rwork	0.164
R-free	0.19000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e3u
RMSD bond length	0.006
RMSD bond angle	1.336
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.060	0.841
Rmeas	0.066	0.919
Rpim	0.027	0.365
Number of reflections	71761	3530
<I/σ(I)>	27	2.4
Completeness [%]	100.0	100
Redundancy	6	6.1
CC(1/2)	0.999	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	292	Protein: 8.0 mg/ml, 0.01M Tris pH 8.3; Screen, AmSO4 (F6): 0.1M Bicine pH 9.0, 2.4M Ammonium sulfate; Cryo: 2M Lithium sulfate