8OJU

Crystal structure of the human IgD Fab - structure Fab3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-29
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9179
Spacegroup name	P 1 21 1
Unit cell lengths	42.893, 74.198, 70.915
Unit cell angles	90.00, 92.15, 90.00

Refinement procedure

Resolution	51.250 - 1.450
R-factor	0.1585
Rwork	0.157
R-free	0.18930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.932
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.870	1.470
High resolution limit [Å]	1.450	1.450
Rmerge	0.077
Rpim	0.032	0.661
Number of reflections	78636	3890
<I/σ(I)>	11.2	1.2
Completeness [%]	100.0	100
Redundancy	6.5	5.1
CC(1/2)	0.999	0.462

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	16% PEG 6000 and 0.1M tri-sodium citrate