8HTB

Staphylococcus aureus FtsZ 12-316 complexed with TXH9179

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	2017-10-08
Detector	RAYONIX MX300HE
Wavelength(s)	0.900
Spacegroup name	C 1 2 1
Unit cell lengths	70.445, 51.540, 86.292
Unit cell angles	90.00, 108.33, 90.00

Refinement procedure

Resolution	34.050 - 1.300
R-factor	0.15625
Rwork	0.155
R-free	0.18555
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3voa
RMSD bond length	0.014
RMSD bond angle	1.859
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5)

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	0.048	0.041	0.804
Number of reflections	69235	2906	3467
<I/σ(I)>	34.5		2.2
Completeness [%]	95.5	77.6	94.5
Redundancy	4.7	4.1	4.7
CC(1/2)			0.828

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.1	293	100 mM Tris-HCl, 43% (w/v) PEP629, 300 mM KCl