2IXM

Structure of human PTPA

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-05-09
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	48.243, 70.410, 95.534
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.700 - 1.500
R-factor	0.203
Rwork	0.202
R-free	0.22100
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.207
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.000	1.580
High resolution limit [Å]	1.500	1.500
Rmerge	0.090	0.300
Number of reflections	311889
<I/σ(I)>	13.7	5.9
Completeness [%]	99.9	100
Redundancy	5.9	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	PTPA CRYSTALS WERE GROWN USING THE HANGING DROP METHOD AT 20C. 1UL OF PROTEIN (20 MG/ML) WAS MIXED WITH 1 UL OF PRECIPITANT (23% TO 28% PEG 4000, 0.2 M LITHIUM SULFATE, 0.1 M TRIS PH 7.0-8.5 AND 5 MM DTT) WERE EQUILIBRATED AGAINST 0.5 ML OF PRECIPITANT. LARGE PLATE CRYSTALS APPEARED IN 2 TO 3 DAYS. FOR CRYOPROTECTION 5% MPD WAS ADDED TO THE PRECIPITANT SOLUTION.