6G1N

Crystal structure of the Burkholderia Pseudomallei antitoxin HicB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-03-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 41
Unit cell lengths	62.580, 62.580, 173.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.472 - 1.850
R-factor	0.2049
Rwork	0.203
R-free	0.24140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6g1c
RMSD bond length	0.008
RMSD bond angle	0.867
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.472	1.917
High resolution limit [Å]	1.850	1.850
Rmerge	0.059	3.521
Rmeas	0.066	3.962
Number of reflections	56223	5547
<I/σ(I)>	9.84	0.4
Completeness [%]	99.0	99
Redundancy	4.7	4.7
CC(1/2)	0.998	0.129

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	289	0.1 M NaOAc, 0.02M CaCl2.dH20 15% MPD