8CC0

Crystal Structure of Anti-cortisol Fab in Complex with Cortisone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-04
Detector	DECTRIS PILATUS3 X 2M
Wavelength(s)	0.873128
Spacegroup name	P 65 2 2
Unit cell lengths	79.411, 79.411, 251.858
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.980 - 1.850
R-factor	0.1915
Rwork	0.191
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mhe
RMSD bond length	0.009
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.980	1.916
High resolution limit [Å]	1.850	1.850
Rmerge	0.236	1.414
Number of reflections	41193	3991
<I/σ(I)>	12
Completeness [%]	99.8
Redundancy	17.9
CC(1/2)	0.997	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.5	293.15	PEG3350, Ammonium citrate