3SVV
Crystal Structure of T338C c-Src covalently bound to vinylsulfonamide-pyrazolopyrimidine 9
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-09-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0088 |
Spacegroup name | P 1 |
Unit cell lengths | 42.300, 63.315, 74.230 |
Unit cell angles | 78.93, 87.70, 87.92 |
Refinement procedure
Resolution | 29.080 - 2.204 |
R-factor | 0.178 |
Rwork | 0.176 |
R-free | 0.21530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yoj |
RMSD bond length | 0.012 |
RMSD bond angle | 1.229 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.2.4) |
Refinement software | PHENIX (dev_538) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.240 |
High resolution limit [Å] | 2.200 | 5.960 | 2.200 |
Rmerge | 0.070 | 0.040 | 0.270 |
<I/σ(I)> | 11.2 | ||
Completeness [%] | 97.3 | 99.5 | 95.4 |
Redundancy | 2 | 2 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100mM MES, 50mM NaOAc, 4-8% PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |