7OMQ

SaFtsZ complexed with GDPPCP and Mn2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	70.890, 52.055, 87.937
Unit cell angles	90.00, 110.34, 90.00

Refinement procedure

Resolution	40.980 - 1.450
R-factor	0.1624
Rwork	0.161
R-free	0.18680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rvn
RMSD bond length	0.008
RMSD bond angle	1.147
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.980	1.500
High resolution limit [Å]	1.450	1.450
Number of reflections	52628	5227
<I/σ(I)>	9.88	1.11
Completeness [%]	98.7
Redundancy	4.4
CC(1/2)	0.998	0.620

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	0.2 M lithium sulphate, 10% (v/v) ethylene glycol, 0.1 M Tris-HCl pH 8.5, and 22% polyethylene glycol 5000 monomethyl ether (+ 20 mM MnCl2 for soaking, 23h)