6LZ4

Crystal structure of PMab-1 Fv-clasp fragment with its antigen peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	67.652, 85.088, 115.662
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.540 - 2.490
R-factor	0.246
Rwork	0.245
R-free	0.26930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lk3 5w5z 5xct
RMSD bond length	0.005
RMSD bond angle	0.830
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.150	2.640
High resolution limit [Å]	2.490	2.490
Number of reflections	23798	3645
<I/σ(I)>	11.55
Completeness [%]	99.3
Redundancy	8.7
CC(1/2)	0.998	0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Potassium formate, 20% PEG3350