9PKF

Mur35 Fab with HBV c18I pMHC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-15
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.00
Spacegroup name	P 21 21 2
Unit cell lengths	174.169, 73.018, 72.921
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.420 - 2.600
R-factor	0.2502
Rwork	0.247
R-free	0.30270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.001
RMSD bond angle	0.411
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	174.170	2.720
High resolution limit [Å]	2.600	2.600
Rpim	0.081	0.737
Number of reflections	28001	3431
<I/σ(I)>	7.5	1.1
Completeness [%]	95.7	97.2
Redundancy	4.7
CC(1/2)	0.992	0.432

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		300	0.2 M NH4F + 20% PEG3350