3S3F

Crystal Structure of the catalytic domain of PTP10D from Drosophila melanogaster with a small molecule inhibitor Vanadate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-29
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 31 2 1
Unit cell lengths	103.070, 103.070, 173.401
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.680 - 2.700
R-factor	0.23982
Rwork	0.238
R-free	0.27177
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 3S3E
RMSD bond length	0.009
RMSD bond angle	1.261
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.113	0.435
Number of reflections	29943
<I/σ(I)>	11.9	3.7
Completeness [%]	100.0	100
Redundancy	5.8	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	15% PEG 4000, 120mM Citrate, 10% iso-propanol, 10% n-Butanol, 10% 1,4-Butanediol, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K