3S8O
Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-03-23 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 42.154, 42.154, 109.513 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.340 - 1.850 |
R-factor | 0.15264 |
Rwork | 0.150 |
R-free | 0.20117 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ov1 |
RMSD bond length | 0.025 |
RMSD bond angle | 1.980 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.700 |
High resolution limit [Å] | 1.640 | 1.640 |
Number of reflections | 8975 | |
<I/σ(I)> | 30.6 | 8.2 |
Completeness [%] | 99.9 | |
Redundancy | 14.4 | 12.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M HEPES, 5.0 M sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |