6KZQ

structure of PTP-MEG2 and NSF-pY83 peptide complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	293
Detector technology	CCD
Collection date	2012-11-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9788
Spacegroup name	P 21 21 2
Unit cell lengths	71.447, 83.708, 48.615
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.233 - 1.700
R-factor	0.185
Rwork	0.184
R-free	0.20980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4icz
RMSD bond length	0.008
RMSD bond angle	1.049
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.080	0.045	0.542
Total number of observations	237798
Number of reflections	32748	3500	3167
<I/σ(I)>	8.1
Completeness [%]	99.6	99.8	98.3
Redundancy	7.3	6.9	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% PEG 4000, 0.2M KSCN, 10% ethelene glycol, 0.1M bis-tris propane