5U1G

Structure of TP228 ParA-AMPPNP-ParB complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-25
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	87.360, 87.510, 133.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.268 - 3.640
R-factor	0.2528
Rwork	0.252
R-free	0.26290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e07
RMSD bond length	0.012
RMSD bond angle	1.487
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	87.360	3.850
High resolution limit [Å]	3.650	3.640
Rmerge		0.338
Rpim	0.127
<I/σ(I)>		1.9
Completeness [%]		78.6
Redundancy		2.2
CC(1/2)	0.980	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	25% PEG 20000, 0.1 M MgCl2, 0.1 M Tris pH 8.5. took 6 months to grow, Mass spec revealed TP228 FL ParB protein had degraded and only N-term region revealed in crystals