9D7B

OXA-58-NA-1-157 7.5 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	2024-06-05
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	37.012, 65.391, 192.333
Unit cell angles	90.00, 91.20, 90.00

Refinement procedure

Resolution	64.100 - 1.990
R-factor	0.1976
Rwork	0.195
R-free	0.24930
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.051
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.100	2.030
High resolution limit [Å]	1.990	1.990
Rmeas	0.201
Rpim	0.082
Number of reflections	61349	3135
<I/σ(I)>	4.6	1.4
Completeness [%]	97.4
Redundancy	5.7
CC(1/2)	0.991	0.430

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