4JAU
Structural basis of a rationally rewired protein-protein interface (HK853mutant A268V, A271G, T275M, V294T and D297E)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-03-10 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.91730 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 81.962, 160.377, 43.885 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.780 - 2.700 |
| R-factor | 0.23913 |
| Rwork | 0.236 |
| R-free | 0.27977 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c2a |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.300 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.000 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.057 | 0.337 |
| Number of reflections | 8277 | |
| <I/σ(I)> | 21 | |
| Completeness [%] | 99.5 | 99.5 |
| Redundancy | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 294 | 8% PEG4000, 0.8M lithium chloride, Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
