6NLR

Crystal structure of the putative histidinol phosphatase hisK from Listeria monocytogenes with trinuclear metals determined by PIXE revealing sulphate ion in active site. Based on PIXE analysis and original date from 3DCP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-05-21
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97931
Spacegroup name	P 64
Unit cell lengths	191.278, 191.278, 48.051
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.600 - 2.100
R-factor	0.15638
Rwork	0.155
R-free	0.18583
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.470
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXDE
Refinement software	REFMAC (5.8.0241)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.600	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.106	0.272
Number of reflections	114574	12134
<I/σ(I)>	23.6	4.4
Completeness [%]	99.8	98.4
Redundancy	3.9	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	291	15% PEG 8000, 0.17 M SODIUM ACETATE, 0.01 M L-CYSTEINE, 0.1 M MES PH 6.2, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K