4DHL

Crystal structure of red kidney bean purple acid phosphatase in complex with Maybridge fragment MO07123

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Wavelength(s)	0.9
Spacegroup name	P 31 2 1
Unit cell lengths	126.097, 126.097, 297.980
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.820 - 2.300
R-factor	0.1603
Rwork	0.158
R-free	0.20580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.033
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall
Low resolution limit [Å]	19.820
High resolution limit [Å]	2.300
Number of reflections	115053

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	291	2.3M ammonium sulfate, 0.1M sodium acetate pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K