4PV8
Crystal Structure of H2Kb-Q600F complex
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 | 2012-02-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.956 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.460, 90.990, 89.610 |
| Unit cell angles | 90.00, 111.65, 90.00 |
Refinement procedure
| Resolution | 33.820 - 2.310 |
| R-factor | 0.1727 |
| Rwork | 0.170 |
| R-free | 0.21650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zsv |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.130 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.500 | |
| High resolution limit [Å] | 2.300 | 10.000 | 2.300 |
| Rmerge | 0.077 | 0.037 | 0.453 |
| Number of reflections | 42500 | 491 | 8686 |
| <I/σ(I)> | 11.66 | 24.38 | 3.9 |
| Completeness [%] | 96.1 | 86.9 | 89.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 298 | 16-24% PEG 3350 and 0.2M Na acetate, 0.1M Na-cacodylate, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
