8CBX

Crystal Structure of Anti-Cortisol Fab fragment

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	2022-10-04
Detector	DECTRIS PILATUS3 X 2M
Wavelength(s)	0.873128
Spacegroup name	P 65 2 2
Unit cell lengths	80.015, 80.015, 254.161
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.010 - 2.000
R-factor	0.2241
Rwork	0.223
R-free	0.23880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mhe
RMSD bond length	0.009
RMSD bond angle	1.073
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]	40.010	2.074
High resolution limit [Å]	2.000	2.002
Rmerge	0.117	1.051
Number of reflections	33324	3095
<I/σ(I)>	13.3	1.85
Completeness [%]	99.5
Redundancy	17.6
CC(1/2)	0.998	0.715

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.5	288.15	PEG3350, citric acid