4P78

HicA3 and HicB3 toxin-antitoxin complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-04-10
Detector	PSI PILATUS 6M
Wavelength(s)	0.9801
Spacegroup name	P 21 21 21
Unit cell lengths	47.170, 83.160, 88.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.580 - 2.120
R-factor	0.1817
Rwork	0.180
R-free	0.21770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4P7D and 1whz
RMSD bond length	0.008
RMSD bond angle	1.047
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.580	2.240
High resolution limit [Å]	2.120	2.120
Rmerge	0.110	0.680
Number of reflections	20448
<I/σ(I)>	14.24	2.85
Completeness [%]	99.7	98.7
Redundancy	5.82	5.75

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Crystals were obtained in 2.4 M di-sodium malonate