4O2P
Kinase domain of cSrc in complex with a substituted pyrazolopyrimidine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 90 |
Detector technology | PIXEL |
Collection date | 2011-08-26 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.978600 |
Spacegroup name | P 1 |
Unit cell lengths | 42.215, 63.248, 74.813 |
Unit cell angles | 101.35, 90.44, 90.07 |
Refinement procedure
Resolution | 43.340 - 2.100 |
R-factor | 0.1974 |
Rwork | 0.197 |
R-free | 0.23850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oiq |
RMSD bond length | 0.010 |
RMSD bond angle | 1.142 |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0093) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.200 | |
High resolution limit [Å] | 2.100 | 16.000 | 2.100 |
Rmerge | 0.044 | 0.023 | 0.201 |
Number of reflections | 42544 | ||
<I/σ(I)> | 11.85 | 29.11 | 3.95 |
Completeness [%] | 96.1 | 92.2 | 95.4 |
Redundancy | 1.92 | 1.95 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 10% ETHYLENE GLYCOL, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |