4JA2
Structural basis of a rationally rewired protein-protein interface (RR468mutant V13P, L14I, I17M and N21V)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-09-29 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.87260 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 53.980, 58.060, 71.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.740 - 1.790 |
| R-factor | 0.18762 |
| Rwork | 0.186 |
| R-free | 0.22273 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gl9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.306 |
| 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] | 35.740 | 1.880 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.078 | 0.279 |
| Number of reflections | 10950 | |
| <I/σ(I)> | 19.6 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 294 | 50% PEG400, 0.1M sodium acetate, 0.2M lithium sulfate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
