9DSU

Crystal structure of Fab 7088 in complex with N-terminal junction peptide from circumsporozoite protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-21
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92010
Spacegroup name	P 21 21 21
Unit cell lengths	71.996, 80.700, 99.377
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.150 - 3.140
R-factor	0.2368
Rwork	0.233
R-free	0.27470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.450
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.250
High resolution limit [Å]	3.140	3.140
Rmerge	0.195	1.049
Rpim	0.056	0.297
Number of reflections	10501	526
<I/σ(I)>	11.5
Completeness [%]	94.2	77.51
Redundancy	12.8	13.2
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293.15	0.1 M Tris pH 8.0, 1M lithium chloride and 10% (w/v) polyethylene glycol 6000