9NL0

Crystal structure of Fab MAM01 in complex with NPNA3 peptide from circumsporozoite protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-18
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	46.175, 71.549, 135.586
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.440 - 1.540
R-factor	0.1764
Rwork	0.176
R-free	0.20240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.119
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	1.590
High resolution limit [Å]	1.540	1.540
Rmerge	0.091	0.570
Rpim	0.041	0.244
Number of reflections	66759	3281
<I/σ(I)>	33.79	3.75
Completeness [%]	99.2
Redundancy	6.2	6.3
CC(1/2)	0.998	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M Bicine pH 9.0 and 65% (v/v) 2-methyl-2,4-pentanediol