5T3J

Histidinol Phosphate Phosphatase(HPP) soaked with selenourea for 10 min

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-24
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.978
Spacegroup name	P 62 2 2
Unit cell lengths	119.635, 119.635, 92.906
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.690 - 2.550
R-factor	0.20711
Rwork	0.204
R-free	0.23659
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.614
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	SHELXD
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.550	2.550
Rmerge	0.100	1.220
Number of reflections	13333
<I/σ(I)>	24.7	1.9
Completeness [%]	99.9	100
Redundancy	11.8	12.1
CC(1/2)	0.940	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	15% (w/v) PEG 3350, 0.2 M diammonium hydrogen phosphate buffer pH 8.0