5XDW

Staphylococcus aureus FtsZ 12-316 G196S

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	71.764, 51.011, 88.328
Unit cell angles	90.00, 110.71, 90.00

Refinement procedure

Resolution	41.310 - 2.000
R-factor	0.1899
Rwork	0.188
R-free	0.23640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3voa
RMSD bond length	0.010
RMSD bond angle	1.448
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	0.146	0.050	0.879
Rmeas	0.162	0.056	0.967
Rpim	0.068	0.025	0.400
Total number of observations	110946
Number of reflections	20347
<I/σ(I)>	6.1
Completeness [%]	99.7	98.7	99.8
Redundancy	5.5	4.8	5.7
CC(1/2)		0.998	0.791

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	100mM Tris-HCl, 45% w/v PEP629, 300mM KCl