4L8D
Crystal structure of the H2Db in complex with the NP-N5D peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.956 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 85.343, 136.132, 80.874 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 80.870 - 1.900 |
| R-factor | 0.1899 |
| Rwork | 0.188 |
| R-free | 0.22610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4huu |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.040 |
| Data scaling software | SCALA (3.3.12) |
| Phasing software | PHASER |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 136.132 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.353 | |
| Number of reflections | 74976 | |
| <I/σ(I)> | 2.4 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.4 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1 M Tris-HCl, pH 8.5, 0.2 M lithium sulfate, 25-30% PEG8000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
