8OJS

Crystal structure of the human IgD Fab - structure Fab1

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
Unit cell lengths	43.534, 71.789, 90.861
Unit cell angles	92.52, 91.16, 105.33

Refinement procedure

Resolution	69.150 - 2.750
R-factor	0.2182
Rwork	0.216
R-free	0.25580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.554
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]	69.150	2.880
High resolution limit [Å]	2.750	2.750
Rmerge	0.072	0.762
Rpim	0.046	0.504
Number of reflections	27217	3604
<I/σ(I)>	8.1	1.1
Completeness [%]	98.9	98.5
Redundancy	3.5	3.2
CC(1/2)	0.997	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20% PEG 3350 and 0.2M sodium phosphate