5XDT

Staphylococcus aureus FtsZ 12-316 complexed with TXA707

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	2016-12-11
Detector	RAYONIX MX300HE
Wavelength(s)	0.900
Spacegroup name	C 1 2 1
Unit cell lengths	70.553, 51.193, 86.449
Unit cell angles	90.00, 108.68, 90.00

Refinement procedure

Resolution	40.950 - 1.300
R-factor	0.1377
Rwork	0.136
R-free	0.16810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 3VOA
RMSD bond length	0.011
RMSD bond angle	1.746
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	1.320
High resolution limit [Å]	1.300	3.530	1.300
Rmerge	0.049	0.035	0.760
Rmeas	0.053	0.039	0.823
Rpim	0.020	0.016	0.311
Total number of observations	503253
Number of reflections	71548
<I/σ(I)>	8.6
Completeness [%]	99.5	90.8	100
Redundancy	7	6.4	6.9
CC(1/2)		0.998	0.841

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	293	100mM Tris-HCl, 41% w/v PEP629, 300mM KCl