8CC1

Crystal Structure of Anti-cortisol Fab in Complex with Prednisolone

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	79.604, 79.604, 252.583
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.100 - 2.000
R-factor	0.1968
Rwork	0.195
R-free	0.23010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mhe
RMSD bond length	0.008
RMSD bond angle	1.011
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]	42.100	2.073
High resolution limit [Å]	2.000	2.000
Rmerge	0.311	1.926
Number of reflections	33018	3198
<I/σ(I)>	9.3
Completeness [%]	99.9	99.97
Redundancy	18.5
CC(1/2)	0.995	0.735

Crystallization Conditions

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