6GS4

Crystal structure of peptide transporter DtpA-nanobody in complex with valganciclovir

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	54.940, 120.190, 163.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.680 - 2.645
R-factor	0.2169
Rwork	0.216
R-free	0.23940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gs1
RMSD bond length	0.003
RMSD bond angle	0.571
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.680	2.740
High resolution limit [Å]	2.645	2.645
Rmerge	0.107
Number of reflections	32188
<I/σ(I)>	10.74
Completeness [%]	99.0
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	PEG 400, calcium chloride, glycine buffer, Anapoe-C12E10