9D7A

OXA-58-NA-1-157 5 min complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-18
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	37.065, 66.257, 193.061
Unit cell angles	90.00, 91.12, 90.00

Refinement procedure

Resolution	39.010 - 2.050
R-factor	0.2423
Rwork	0.240
R-free	0.29260
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.089
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.010	2.110
High resolution limit [Å]	2.050	2.050
Rmeas	0.168
Rpim	0.063	0.523
Number of reflections	58348	4506
<I/σ(I)>	7.3	1.5
Completeness [%]	99.1
Redundancy	7.1
CC(1/2)	0.996	0.665

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2 M sodium acetate, 0.1 M Tris-HCl pH 8.5, 30% PEG4000