8OJT

Crystal structure of the human IgD Fab - structure Fab2

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	43.149, 73.827, 70.458
Unit cell angles	90.00, 92.54, 90.00

Refinement procedure

Resolution	70.390 - 1.550
R-factor	0.1623
Rwork	0.161
R-free	0.19760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.941
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.390	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.099
Rpim	0.040	0.923
Number of reflections	64083	3165
<I/σ(I)>	10	1.3
Completeness [%]	100.0	100
Redundancy	7	6.2
CC(1/2)	0.998	0.486

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.1M BTP pH 6.5, 20% PEG 3350 and 0.2M sodium nitrate