7LR3

Complex of Fab 2/6.14 with domain 3 of P. berghei HAP2

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	CCD
Collection date	2018-11-26
Detector	MAR CCD 130 mm
Wavelength(s)	1.0332
Spacegroup name	P 2 2 2
Unit cell lengths	78.250, 122.580, 168.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.767 - 2.800
R-factor	0.2541
Rwork	0.253
R-free	0.29180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2a6d
RMSD bond length	0.003
RMSD bond angle	0.548
Data reduction software	XSCALE
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.870
High resolution limit [Å]	2.800	2.800
Number of reflections	40463	4935
<I/σ(I)>	12.8	0.52
Completeness [%]	99.3	96.9
Redundancy	3.8	3.7
CC(1/2)	0.997	0.109

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	10 mM HEPES, 20 mM Proline