9JIQ

Crystal structure of V30M-TTR in complex with bromoxynil

This is a non-PDB format compatible entry.

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	2023-06-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.915
Spacegroup name	P 21 21 2
Unit cell lengths	43.956, 84.008, 65.551
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.004 - 1.780
R-factor	0.2179
Rwork	0.216
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pwe
RMSD bond length	0.006
RMSD bond angle	0.868
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.004	1.820
High resolution limit [Å]	1.780	1.780
Rmeas	0.080	0.846
Rpim	0.030	0.317
Number of reflections	23985	1352
<I/σ(I)>	12.2	2.3
Completeness [%]	99.9
Redundancy	7.2
CC(1/2)	0.999	0.927

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Disodium malonate, 0.1 M NaOAc pH 4.6