7EZN

Crystal structure of CnYvh1 complex with vanadate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2018-07-26
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97
Spacegroup name	P 41 21 2
Unit cell lengths	66.194, 66.194, 120.324
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.100 - 1.800
R-factor	0.2008
Rwork	0.200
R-free	0.20890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ki9
RMSD bond length	0.009
RMSD bond angle	1.545
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.100	1.864
High resolution limit [Å]	1.800	1.800
Rmerge	0.011	0.213
Number of reflections	24183	1709
<I/σ(I)>	33.71
Completeness [%]	94.6
Redundancy	2
CC(1/2)	1.000	0.926

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.16 M Magnesium chloride, 0.08 M Tris-HCl pH 8.5, 24 % (w/v) PEG 4000, 20 % glycerol