5UQ6

PIG PURPLE ACID PHOSPHATASE COMPLEXED WITH PHOSPHATE IN TWO COORDINATION MODES ALONG WITH A BRIDGING HYDROXIDE ION

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	2015-03-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	63.124, 69.981, 75.052
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.603 - 1.182
R-factor	0.1417
Rwork	0.141
R-free	0.15550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ute
RMSD bond length	0.007
RMSD bond angle	0.980
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.603
High resolution limit [Å]	1.180
Rmerge	0.068
Rpim	0.037
Number of reflections	98587
<I/σ(I)>	11.2
Completeness [%]	91.3
Redundancy	3.957

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293.15	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. PROTEIN CONCENTRATION 60MG/ML.