6WTX

Structure of VcINDY in complex with terephthalate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	108.458, 103.062, 174.447
Unit cell angles	90.00, 95.85, 90.00

Refinement procedure

Resolution	47.800 - 3.920
R-factor	0.2915
Rwork	0.290
R-free	0.30840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ul9
RMSD bond length	0.006
RMSD bond angle	1.166
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.18_3855)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.970
High resolution limit [Å]	3.900	3.900
Number of reflections	33199	1665
<I/σ(I)>	13.3
Completeness [%]	97.4
Redundancy	4.4
CC(1/2)		0.814

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	30% PEG 550, 100mM Tris pH 8.0, 50mM NaCl