5XF2

Crystal structure of SeMet-HldC from Burkholderia pseudomallei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-21
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 1
Unit cell lengths	73.953, 73.953, 74.880
Unit cell angles	108.38, 108.38, 108.02

Refinement procedure

Resolution	31.268 - 2.800
R-factor	0.2438
Rwork	0.243
R-free	0.25190
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.348
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.940	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.073	0.120
Number of reflections	30332	4415
<I/σ(I)>	15.5	8.6
Completeness [%]	96.8	97
Redundancy	3.7	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	296	0.1M HEPES pH 7.0, 20% (w/v) polyethylene glycol 3350, 8.5mM n-octyl-beta-d-thiomaltoside