45AS

Crystal structure of C11 nanobody in complex with human MR1-Ac-6-FP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953726
Spacegroup name	P 32 1 2
Unit cell lengths	118.498, 118.498, 159.061
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.510 - 3.140
R-factor	0.2097
Rwork	0.208
R-free	0.22370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.553
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.510	3.180
High resolution limit [Å]	3.140	3.140
Number of reflections	43262	1557
<I/σ(I)>	14.26
Completeness [%]	99.0
Redundancy	3.3
CC(1/2)	0.999	0.335

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	salt