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 |