5XDU

Staphylococcus aureus FtsZ 12-316 complexed with TXA6101

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.100
Spacegroup name	C 1 2 1
Unit cell lengths	70.759, 51.574, 86.661
Unit cell angles	90.00, 108.75, 90.00

Refinement procedure

Resolution	40.900 - 2.000
R-factor	0.203
Rwork	0.201
R-free	0.23870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3voa
RMSD bond length	0.012
RMSD bond angle	1.578
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	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.081	0.063	0.264
Rmeas	0.099	0.075	0.322
Rpim	0.055	0.040	0.182
Total number of observations	55580
Number of reflections	19640
<I/σ(I)>	5.8
Completeness [%]	97.7	99.6	98.3
Redundancy	2.8	3.4	2.7
CC(1/2)		0.991	0.898

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	293	100mM Tris-HCl, 43% w/v PEP629, 300mM KCl