8RTW

Crystal Structure of the Anti-testosterone Fab in Complex with Testosterone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-05
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9655
Spacegroup name	C 1 2 1
Unit cell lengths	158.376, 53.159, 111.947
Unit cell angles	90.00, 96.40, 90.00

Refinement procedure

Resolution	48.020 - 1.990
R-factor	0.1905
Rwork	0.190
R-free	0.22080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.100
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.020	2.050
High resolution limit [Å]	1.990	1.990
Number of reflections	60707	5889
<I/σ(I)>	7.65
Completeness [%]	95.4
Redundancy	2.67
CC(1/2)	0.995	0.459

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	PEG 3350, ammonium sulfate, Tris