5XDV

Staphylococcus aureus FtsZ 12-316 G196S complexed with TXA6101

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2016-09-28
Detector	RAYONIX MX300HE
Wavelength(s)	0.900
Spacegroup name	C 1 2 1
Unit cell lengths	71.392, 50.443, 88.263
Unit cell angles	90.00, 109.97, 90.00

Refinement procedure

Resolution	41.480 - 1.700
R-factor	0.1748
Rwork	0.173
R-free	0.20610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3voa
RMSD bond length	0.012
RMSD bond angle	1.735
Data reduction software	HKL
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0151)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.060	0.050	0.368
Rmeas	0.070	0.060	0.431
Rpim	0.037	0.032	0.222
Number of reflections	32355
<I/σ(I)>	8.8
Completeness [%]	99.5	91.5	100
Redundancy	3.7	3.5	3.8
CC(1/2)		0.994	0.897

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.4	293	100mM Tris-HCl, 43% w/v PEP629, 300mM KCl