9DSS

Crystal structure of Fab 7088 in complex with NPNA3 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 43 21 2
Unit cell lengths	72.114, 72.114, 195.786
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.930 - 2.000
R-factor	0.2305
Rwork	0.229
R-free	0.26250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.935
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	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.109	0.783
Rpim	0.034	0.794
Number of reflections	35785	3460
<I/σ(I)>	61	2.42
Completeness [%]	99.7
Redundancy	11.5
CC(1/2)	0.981	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2 M sodium chloride and 20% (w/v) polyethylene glycol 3350