3MXY
Structures of Grb2-SH2 Domain and AICD peptide Complexes Reveal a Conformational Switch and Their Functional Implications.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-07-15 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 58.980, 58.980, 117.060 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.490 - 2.300 |
R-factor | 0.232 |
Rwork | 0.232 |
R-free | 0.25200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jyr |
RMSD bond length | 0.008 |
RMSD bond angle | 1.400 |
Data reduction software | AUTOMAR |
Phasing software | AMoRE |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.400 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.046 | 0.150 |
Number of reflections | 5748 | |
<I/σ(I)> | 5.3 | 2.7 |
Completeness [%] | 98.7 | |
Redundancy | 3.56 | 3.56 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Tris ,0.1M Bicine, VAPOR DIFFUSION, HANGING DROP, temperature 293K |