8RTF

Crystal structure of Trypanosoma congolense pyruvate kinase in complex with a single-domain antibody (TcoPYK-sdAb42)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-07-04
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	167.520, 170.810, 177.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.350 - 2.800
R-factor	0.2303
Rwork	0.228
R-free	0.27190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.823
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.350	2.970
High resolution limit [Å]	2.800	2.800
Rmeas	0.139	2.053
Number of reflections	125473	19843
<I/σ(I)>	12.53
Completeness [%]	99.8	99.1
Redundancy	10.2	10.2
CC(1/2)	0.998	0.612

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	100 mM MES pH 6.5, 200 mM MgCl2, 10% PEG 4000