9BJ5

Crystal structure of the HEPN family member AbiV (P212121 space group)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-03-25
Detector	MARRESEARCH
Wavelength(s)	0.91908
Spacegroup name	P 21 21 21
Unit cell lengths	73.693, 79.168, 136.137
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.310 - 2.550
R-factor	0.22129
Rwork	0.219
R-free	0.26749
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.846
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	AutoSol
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.550	2.550
Rmeas	0.104	0.877
Number of reflections	26667	2611
<I/σ(I)>	35	2.3
Completeness [%]	99.9	98.7
Redundancy	13.8	9.9
CC(1/2)		0.934

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		295	0.1 M Tris-HCl pH 8.0, 1.8 M potassium sodium tartrate, 0.6 M sodium bromide