8RMO

Crystal structure of anti-FLAG M2 Fab fragment bound to FLAG-tag peptide epitope

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-10
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.6199
Spacegroup name	P 21 21 2
Unit cell lengths	87.432, 134.621, 41.798
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.326 - 1.163
Rwork	0.158
R-free	0.18550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.564
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.326	1.245
High resolution limit [Å]	1.163	1.163
Rmerge	0.151	6.867
Rmeas	0.153	7.008
Rpim	0.026	1.388
Number of reflections	123223	6161
<I/σ(I)>	16.525	1.526
Completeness [%]	95.7	71.98
Redundancy	36.99
CC(1/2)	0.999	0.610

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1 M TRIS 8 pH, 20 %w/v PEG 6K, 0.2 M NH4Cl