6GS1

Crystal structure of peptide transporter DtpA-nanobody in MES buffer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-04
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	P 21 21 21
Unit cell lengths	55.460, 120.720, 163.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.160 - 3.290
R-factor	0.2521
Rwork	0.252
R-free	0.26290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4q65
RMSD bond length	0.002
RMSD bond angle	0.447
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.160	3.408
High resolution limit [Å]	3.290	3.290
Rmerge	0.267
Number of reflections	17262
<I/σ(I)>	6.46
Completeness [%]	99.0
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	PEG 600, magnesium chloride, MES buffer, pH 6.5