9UEH

Serine Beta-Lactamase OXA-48 in Complex with MBL/SBL Inhibitor FB1-10

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	195
Detector technology	PIXEL
Collection date	2025-03-24
Detector	DECTRIS PILATUS3 X CdTe 1M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	58.513, 105.474, 94.144
Unit cell angles	90.00, 108.40, 90.00

Refinement procedure

Resolution	49.247 - 1.756
R-factor	0.198
Rwork	0.197
R-free	0.23810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7dml
RMSD bond length	0.012
RMSD bond angle	1.143
Data reduction software	autoPX
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.800
High resolution limit [Å]	1.756	7.760	1.760
Rmerge	0.533	0.057	3.176
Rmeas	0.584
Rpim	0.233
Number of reflections	106244	1263	7793
<I/σ(I)>	9.38
Completeness [%]	98.5
Redundancy	6.44
CC(1/2)	0.582	0.997	0.005

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	5% 1-Butanol, 0.1M HEPES, pH7.5, 15-17% PEG8000