7NMF
Human MHC Class I, A24 Allele presenting QLPRLFPLL, Complex with 4C6 TCR, monoclinic form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97623 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.380, 72.250, 114.840 |
| Unit cell angles | 90.00, 102.98, 90.00 |
Refinement procedure
| Resolution | 60.150 - 2.980 |
| R-factor | 0.186 |
| Rwork | 0.182 |
| R-free | 0.25880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bck |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.570 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.5.1) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 60.150 | 60.080 | 3.160 |
| High resolution limit [Å] | 2.980 | 8.940 | 2.980 |
| Rmerge | 0.131 | 0.037 | 0.691 |
| Rmeas | 0.158 | 0.044 | 0.838 |
| Rpim | 0.088 | 0.025 | 0.468 |
| Total number of observations | 2105 | 9519 | |
| Number of reflections | 20168 | 747 | 3295 |
| <I/σ(I)> | 7.8 | 21.8 | 1.7 |
| Completeness [%] | 96.6 | 91.4 | 98.1 |
| Redundancy | 2.8 | 2.8 | 2.9 |
| CC(1/2) | 0.987 | 0.996 | 0.644 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.1M Sodium Bromide, 0.1 M bis-tris Propane, pH 7.5, 20% PEG 3350 |
