9DSR

Crystal structure of Fab MS-1805 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 EIGER2 XE 9M
Wavelength(s)	0.92010
Spacegroup name	P 1 21 1
Unit cell lengths	50.544, 73.847, 60.747
Unit cell angles	90.00, 99.87, 90.00

Refinement procedure

Resolution	27.840 - 2.250
R-factor	0.1932
Rwork	0.188
R-free	0.23940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	6.330
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.000	2.290
High resolution limit [Å]	2.250	2.250
Number of reflections	20906	1027
<I/σ(I)>	11.5
Completeness [%]	98.9
Redundancy	6.7
CC(1/2)	0.982	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Zinc acetate, 20% (w/v) polyethylene glycol