6W05

Crystal structure of Fab356 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	2018-10-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03321
Spacegroup name	P 21 21 21
Unit cell lengths	64.157, 81.728, 84.023
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.262 - 2.516
R-factor	0.2109
Rwork	0.208
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Homology model
RMSD bond length	0.004
RMSD bond angle	0.651
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	2.560
High resolution limit [Å]	2.516	2.520
Rpim	0.058	0.445
Number of reflections	15560	773
<I/σ(I)>	13.6	1.6
Completeness [%]	100.0
Redundancy	7
CC(1/2)	0.900	0.547

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.6	277.15	40% PEG600, 0.1 M CHES, pH 9.5