3LNY

Second PDZ domain from human PTP1E in complex with RA-GEF2 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-01-01
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0809
Spacegroup name	H 3 2
Unit cell lengths	73.965, 73.965, 134.056
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.695 - 1.300
R-factor	0.164
Rwork	0.163
R-free	0.18900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.605
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.320
High resolution limit [Å]	1.300	3.530	1.300
Rmerge	0.056	0.034	0.180
Number of reflections	34689
<I/σ(I)>	21.6
Completeness [%]	99.1	99.9	97.7
Redundancy	13.3	14.6	10.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	20% PEG 3350, 0.8 M (NH4)2SO4, 0.2 M NaSCN, 0.1 M Na citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	20% PEG 3350, 0.8 M (NH4)2SO4, 0.2 M NaSCN, 0.1 M Na citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K