9KAS

Crystal structure of anti-sulfonylurea antibody scFv in complex with chlorpropamide

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2024-08-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999
Spacegroup name	P 21 21 21
Unit cell lengths	69.917, 73.456, 87.525
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.130 - 2.401
R-factor	0.224
Rwork	0.222
R-free	0.26110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.216
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.130	2.487
High resolution limit [Å]	2.401	2.401
Number of reflections	18153	1774
<I/σ(I)>	17.95
Completeness [%]	99.6
Redundancy	13.4
CC(1/2)	0.999	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.42 M Sodium phosphate monobasic monohydrate, 0.78 M Potassium phosphate dibasic, pH 7.0