7UNZ

Crystal structure of H2 nanobody in complex with PfCSS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95366
Spacegroup name	P 21 21 2
Unit cell lengths	118.967, 190.428, 56.036
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.750 - 2.030
R-factor	0.186
Rwork	0.185
R-free	0.21710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hgv
RMSD bond length	0.003
RMSD bond angle	0.576
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.990	2.070
High resolution limit [Å]	2.030	2.030
Rpim	0.027	0.444
Number of reflections	83296	4251
<I/σ(I)>	14	1.3
Completeness [%]	99.6	93.2
Redundancy	13.5
CC(1/2)	0.999	0.722

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.1 M bis-tris-propane pH 6.0, 17.5% (v/v) PEG3350, 0.2 M sodium malonate