7B3U

OXA-10 beta-lactamase with covalent modification

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96856
Spacegroup name	P 21 21 21
Unit cell lengths	48.935, 97.222, 125.988
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.867 - 1.598
R-factor	0.1563
Rwork	0.155
R-free	0.17670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k55
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	77.020	77.020	1.640
High resolution limit [Å]	1.598	7.160	1.600
Rmerge	0.152	0.060	1.275
Rmeas	0.158	0.063	1.333
Rpim	0.044	0.018	0.385
Total number of observations		12181	69357
Number of reflections	80334	1039	5874
<I/σ(I)>	8.9	21.4	1.7
Completeness [%]	100.0	99.9	100
Redundancy	12.7	11.7	11.8
CC(1/2)	0.997	0.998	0.816

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.2 M Sodium sulfate, 0.1 M Bis-Tris propane pH 6.5, 20% (w/v) PEG 3350