6VJ7

Crystal structure of red kidney bean purple acid phosphatase in complex with adenosine 5'-(beta,gamma imido)triphosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-12-10
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 31 2 1
Unit cell lengths	125.704, 125.704, 298.151
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.760 - 2.600
R-factor	0.216
Rwork	0.213
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dhl
RMSD bond length	0.007
RMSD bond angle	0.850
Data reduction software	d*TREK
Data scaling software	pointless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.760	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.119	0.316
Number of reflections	63465	1835
<I/σ(I)>	4.3	1.7
Completeness [%]	74.9	50.7
Redundancy	1.62	1.36

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	2.3 M ammonium sulfate, 0.1 M sodium acetate, pH 4.0