7ERJ

Crystal structure of V30M-TTR in complex with dichlorophen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	43.639, 85.970, 63.343
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.930 - 1.892
R-factor	0.187
Rwork	0.186
R-free	0.21110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pwe
RMSD bond length	0.005
RMSD bond angle	0.836
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.930	1.960
High resolution limit [Å]	1.890	1.890
Rmeas	0.089	0.727
Rpim	0.040	0.310
Number of reflections	19423	1741
<I/σ(I)>	11.4	2.5
Completeness [%]	98.8	90.9
Redundancy	5.1
CC(1/2)	0.994	0.827

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG400, CaCl2, NaOAc, dichlorophen