6WFX

Crystal structure of Fab395 in complex with NPNA2 peptide from circumsporozoite protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03324
Spacegroup name	P 21 21 21
Unit cell lengths	60.420, 78.662, 90.666
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.917 - 2.590
R-factor	0.2003
Rwork	0.198
R-free	0.24390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Homology model
RMSD bond length	0.002
RMSD bond angle	0.598
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	2.490
High resolution limit [Å]	2.450	2.450
Rpim	0.114	0.770
Number of reflections	16577	749
<I/σ(I)>	10.2	1.1
Completeness [%]	99.8	99.5
Redundancy	6.7	6
CC(1/2)	0.787	0.338

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293.15	30% PEG4000, 0.2 M ammonium acetate, 0.1 M sodium citrate, pH 5.6