7OV2

Crystal structure of pig purple acid phosphatase in complex with L-glutamine, (poly)ethylene glycol fragments and glycerol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	64.447, 68.668, 77.007
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.250 - 2.100
R-factor	0.1451
Rwork	0.142
R-free	0.19570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ute
RMSD bond length	0.008
RMSD bond angle	0.978
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.010	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.131	0.491
Rmeas	0.141	0.528
Rpim	0.052	0.193
Number of reflections	20575	2938
<I/σ(I)>	12.8	4.4
Completeness [%]	100.0	100
Redundancy	7.2
CC(1/2)	0.997	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	291.15	25% (W/V) PEG3350, 0.1 M LICL, 5% (V/V)ISOPROPANOL, 0.1 M SODIUM CITRATE PH 5.0, PROTEIN CONCENTRATION 38 MG/ML