7NME
Human MHC Class I, A24 Allele presenting QLPRLFPLL, Complex with 4C6 TCR
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 PILATUS3 6M |
| Wavelength(s) | 0.97623 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.163, 71.347, 220.185 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 110.090 - 2.200 |
| R-factor | 0.2177 |
| Rwork | 0.215 |
| R-free | 0.27370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bck |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.168 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 110.090 | 110.090 | 2.270 |
| High resolution limit [Å] | 2.200 | 8.800 | 2.200 |
| Rmerge | 0.179 | 0.058 | 1.550 |
| Rmeas | 0.200 | 0.066 | 1.731 |
| Rpim | 0.087 | 0.030 | 0.762 |
| Total number of observations | 230237 | 3775 | 20094 |
| Number of reflections | 44950 | 832 | 3864 |
| <I/σ(I)> | 5.9 | 14.8 | 1.3 |
| Completeness [%] | 99.5 | 100 | 95.1 |
| Redundancy | 5.1 | 4.5 | 5.2 |
| CC(1/2) | 0.989 | 0.995 | 0.355 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 291 | Molecular Dimensions Pact Premier C06: 0.1M PCTCP buffer, 25% PEG 1500, pH 9.0 |
