4J9F
Crystal structure of the Abl-SH3 domain complexed with the high affinity peptide P0
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-01-28 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 86.429, 86.429, 45.160 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 21.840 - 1.094 |
R-factor | 0.148 |
Rwork | 0.147 |
R-free | 0.16900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2o88 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.386 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.850 | 1.150 |
High resolution limit [Å] | 1.094 | 1.090 |
Rmerge | 0.061 | 0.430 |
Number of reflections | 77433 | |
<I/σ(I)> | 19.2 | 4.9 |
Completeness [%] | 97.0 | 94.9 |
Redundancy | 8.8 | 8.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 298 | 2M Ammonium sulphate, 5% PEG300, 0.05M Litium Formate, 10 % glycerol, 0.1M MOPS , pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K |