6WG1

Crystal structure of Fab399 in complex with NPNA6 peptide from circumsporozoite protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03316
Spacegroup name	P 1 21 1
Unit cell lengths	62.968, 85.901, 89.461
Unit cell angles	90.00, 100.27, 90.00

Refinement procedure

Resolution	44.014 - 2.086
R-factor	0.1991
Rwork	0.197
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Homology model
RMSD bond length	0.005
RMSD bond angle	0.720
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.086	2.086
Rpim	0.060	0.333
Number of reflections	49542	1393
<I/σ(I)>	10.3	1.2
Completeness [%]	89.1	51
Redundancy	2.4	1.8
CC(1/2)	0.901	0.715

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293.15	50% MPD, 0.2 M ammonium phosphate monobasic, 0.1 M Tris, pH 8.5