7CI2

Crystal structure of AcrVA2 in complex with partial MbCpf1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-24
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97852
Spacegroup name	P 31
Unit cell lengths	90.816, 90.816, 137.679
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.410 - 2.800
R-factor	0.2464
Rwork	0.245
R-free	0.26750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ci1
RMSD bond length	0.018
RMSD bond angle	1.673
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.069	0.763
Rmeas	0.076	0.855
Rpim	0.032	0.380
Number of reflections	31347	1581
<I/σ(I)>	21.7	1.7
Completeness [%]	99.9	99.7
Redundancy	5.3	4.8
CC(1/2)	0.994	0.451

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		289	0.035 M Sodium Cacodylate pH 6.5, 12.6 mM MgCl2, 1.58 mM Spermine, 6.3% isopropanol, 15 mM HEPES pH 6.8, 0.75% PEG5K MME,0.2 M NDSB-211