4RKK

Structure of a product bound phosphatase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0000, 1.2148
Spacegroup name	P 43 21 2
Unit cell lengths	78.706, 78.706, 321.124
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.980 - 2.400
R-factor	0.17055
Rwork	0.166
R-free	0.21053
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.543
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.8.2)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	37585
Completeness [%]	92.3	92

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	277	250 mM maltohexaose, 0.19 M Sodium Acetate, 0.1 M Sodium Citrate, 25.5% PEG3350, 15% Glycerol, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
2	VAPOR DIFFUSION, HANGING DROP	5	277	250 mM maltohexaose, 0.17 M Sodium Acetate, 0.08 M Sodium Citrate, 25.5% PEG4000, 15% Glycerol, 30 mM Sodium Tungstate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K