6T1F

Crystal structure of the C-terminally truncated chromosome-partitioning protein ParB from Caulobacter crescentus complexed to the centromeric parS site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-09
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.916
Spacegroup name	P 1 21 1
Unit cell lengths	54.250, 172.928, 72.852
Unit cell angles	90.00, 90.54, 90.00

Refinement procedure

Resolution	72.960 - 2.900
R-factor	0.2407
Rwork	0.239
R-free	0.26260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4umk
RMSD bond length	0.005
RMSD bond angle	1.045
Data reduction software	XDS (Nov11-2017)
Data scaling software	Aimless (0.7.2)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	172.930	172.930	3.080
High resolution limit [Å]	2.900	8.700	2.900
Rmerge	0.135	0.057	1.526
Rmeas	0.146	0.062	1.646
Rpim	0.057	0.025	0.614
Total number of observations	198135	6755	33888
Number of reflections	29654	1130	4775
<I/σ(I)>	8.7	26.5	1.4
Completeness [%]	99.7	99.4	100
Redundancy	6.7	6	7.1
CC(1/2)	0.997	0.996	0.677

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	NULL