8OJV

Crystal structure of the human IgD Fab - structure Fab4

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 21 21 21
Unit cell lengths	57.774, 71.645, 131.633
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.930 - 2.100
R-factor	0.1808
Rwork	0.179
R-free	0.21630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.705
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]	71.640	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.126
Rpim	0.050	0.570
Number of reflections	32773	2634
<I/σ(I)>	9.4	1.5
Completeness [%]	99.9
Redundancy	7.3
CC(1/2)	0.998	0.627

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.1M Tris pH 8.5, 18% PEG 8000 and 0.2M lithium sulphate