6G1C

Crystal structure of the N-terminal domain of Burkholderia Pseudomallei antitoxin HicB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-12-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	63.447, 76.685, 76.907
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.303 - 1.560
R-factor	0.2013
Rwork	0.200
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.141
Data reduction software	XDS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.303	1.616
High resolution limit [Å]	1.560	1.560
Rmerge	0.037	1.209
Rmeas	0.039	1.259
Number of reflections	54080	5244
<I/σ(I)>	29.88	2.06
Completeness [%]	100.0	100
Redundancy	13.2	13
CC(1/2)	1.000	0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	289	0.1 M NaOAc, 8% (w/v) PEG 4000, 15% (v/v) MPD