6THL

Crystal structure of the complex between RTT106 and BCD1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-04
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.033
Spacegroup name	P 1 21 1
Unit cell lengths	56.712, 66.684, 65.122
Unit cell angles	90.00, 104.72, 90.00

Refinement procedure

Resolution	19.860 - 2.800
R-factor	0.2191
Rwork	0.210
R-free	0.29970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tw1 6nz2
RMSD bond length	0.014
RMSD bond angle	1.740
Data reduction software	XDS
Data scaling software	XPREP
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.950
High resolution limit [Å]	2.790	2.790
Number of reflections	11730	1858
<I/σ(I)>	27.4
Completeness [%]	99.1
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Drops were made at 293 K by mixing the protein solution at 10 mg/mL and the reservoir solution containing 10 % (w/v) PEG 8K, 20 % (v/v) ethylene glycol, 10 mM 1,6-hexanediol, 10 mM 2-propanol and 100 mM sodium HEPES at pH 7.5.