9NJ4

Fab1437 in complex with the C-terminal alpha-TSR domain of the P. falciparum circumsporozoite protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	C 2 2 21
Unit cell lengths	71.723, 106.105, 152.365
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.850 - 1.950
R-factor	0.2366
Rwork	0.235
R-free	0.26240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.611
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.21rc1_5127: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.980
High resolution limit [Å]	1.950	5.290	1.950
Rmerge	0.145	0.059	1.684
Rmeas	0.159	0.065	1.880
Rpim	0.062	0.026	0.818
Total number of observations	266897
Number of reflections	42265	2255	2094
<I/σ(I)>	7.3
Completeness [%]	99.7	99.2	99.4
Redundancy	6.3	6.2	5
CC(1/2)	0.981	0.996	0.415

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	8.5% isopropanol, 17% PEG 4000, 0.085 M HEPES pH 7.5, 15% glycerol