9PIX

Mur14 Fab with HBV c18V pMHC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	71.599, 73.360, 93.889
Unit cell angles	90.00, 111.03, 90.00

Refinement procedure

Resolution	45.800 - 2.350
R-factor	0.1875
Rwork	0.185
R-free	0.23550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.501
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.400	2.430
High resolution limit [Å]	2.350	2.350
Rpim	0.098	0.644
Number of reflections	37980	3725
<I/σ(I)>	7.6	1.4
Completeness [%]	99.0	99.9
Redundancy	4.7	4.9
CC(1/2)	0.990	0.377

Crystallization Conditions

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