3U51
Src in complex with DNA-templated macrocyclic inhibitor MC1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.166, 117.250, 62.762 |
| Unit cell angles | 90.00, 90.08, 90.00 |
Refinement procedure
| Resolution | 34.978 - 2.241 |
| R-factor | 0.2001 |
| Rwork | 0.199 |
| R-free | 0.23640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y57 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.827 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.6_289) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.320 |
| High resolution limit [Å] | 2.240 | 4.820 | 2.240 |
| Rmerge | 0.069 | ||
| Number of reflections | 27792 | ||
| <I/σ(I)> | 14.2 | ||
| Completeness [%] | 95.0 | 99 | 87 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1 M Bis-Tris, pH 6.5, 12% PEG3350, 1% Tacsimate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
