7K7R

EBNA1 peptide AA386-405 with Fab MS39p2w174

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-15
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97946
Spacegroup name	I 2 2 2
Unit cell lengths	119.657, 137.562, 178.996
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.140 - 2.500
R-factor	0.2131
Rwork	0.211
R-free	0.25220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lri
Data reduction software	XDS (20200131)
Data scaling software	Aimless (3.3.22)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.140	45.140	2.240
High resolution limit [Å]	2.190	10.730	2.190
Rmerge	0.156	0.024	5.921
Rmeas	0.186	0.029	7.776
Rpim	0.101	0.016	4.972
Total number of observations	231612	2058	7430
Number of reflections	51233	671	3637
<I/σ(I)>	5.5	31.7	0.1
Completeness [%]	96.1	94.6	78
Redundancy	3.2	3.1	2
CC(1/2)	0.995	0.999	0.126

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9	294	Fab (15 mg/ml) mixed with peptide at a 1:7.5 molar ratio. 0.48M Sodium Citrate, 0.72M Sodium/Potassium Phosphate, 3% MPD (v/v), 0.1M HEPES, pH 6.9.