5BMM
Src in complex with DNA-templated macrocyclic inhibitor MC25b
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 | 2014-05-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.830, 118.610, 42.650 |
| Unit cell angles | 90.00, 90.08, 90.00 |
Refinement procedure
| Resolution | 42.650 - 2.500 |
| R-factor | 0.22 |
| Rwork | 0.218 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u4w |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.831 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.650 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.252 | 0.670 |
| Number of reflections | 17499 | |
| <I/σ(I)> | 8.2 | 3 |
| Completeness [%] | 83.9 | 26.6 |
| Redundancy | 7.4 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 14% PEG 5000 MME, 0.3 M NaH2PO |
