7ODA

OXA-48-like Beta-lactamase OXA-436

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-18
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.91840
Spacegroup name	P 1 21 1
Unit cell lengths	69.116, 94.571, 87.762
Unit cell angles	90.00, 109.89, 90.00

Refinement procedure

Resolution	44.261 - 1.796
R-factor	0.1855
Rwork	0.183
R-free	0.22680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dtk
RMSD bond length	0.010
RMSD bond angle	1.099
Data reduction software	XDS
Data scaling software	Aimless (0.5.23)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.261	1.860
High resolution limit [Å]	1.796	1.796
Rmeas	0.147	1.260
Number of reflections	94891	9214
<I/σ(I)>	9.46	1
Completeness [%]	95.9	93.4
Redundancy	3.4	3.3
CC(1/2)	0.992	0.586

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.75	294	0.1 M HEPES pH 7.75, 0.2 M sodium acetate, 26.5% PEG 3350