4NY3
Human PTPA in complex with peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-07-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9687 |
Spacegroup name | P 1 |
Unit cell lengths | 43.670, 47.970, 87.180 |
Unit cell angles | 84.41, 80.23, 88.23 |
Refinement procedure
Resolution | 29.174 - 1.797 |
R-factor | 0.159 |
Rwork | 0.158 |
R-free | 0.18550 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.851 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.200 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 62666 | |
Completeness [%] | 97.0 | 86.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 2 M (NH4)2SO4 and 0.1 M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |