6OL1

Structure of VcINDY in complex with Succinate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-24
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	105.529, 102.540, 171.116
Unit cell angles	90.00, 98.81, 90.00

Refinement procedure

Resolution	46.478 - 3.088
R-factor	0.2598
Rwork	0.259
R-free	0.29990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ul9
RMSD bond length	0.002
RMSD bond angle	0.481
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.15.1_3469: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.150
High resolution limit [Å]	3.088	3.088
Number of reflections	65778	3229
<I/σ(I)>	10.3
Completeness [%]	99.9
Redundancy	5
CC(1/2)	0.998	0.443

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	277	30% PEG 300, 100mM MES pH 5.8