7NMG
Human MHC Class I, A24 Allele presenting LWM, Complex with 4C6 TCR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-01-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.320, 72.130, 230.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.930 - 2.480 |
| R-factor | 0.2013 |
| Rwork | 0.198 |
| R-free | 0.27100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bck |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.452 |
| 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] | 52.930 | 52.870 | 2.580 |
| High resolution limit [Å] | 2.480 | 8.940 | 2.480 |
| Rmerge | 0.095 | 0.022 | 1.310 |
| Rmeas | 0.108 | 0.025 | 1.486 |
| Rpim | 0.050 | 0.012 | 0.690 |
| Total number of observations | 3018 | 16321 | |
| Number of reflections | 33057 | 797 | 3692 |
| <I/σ(I)> | 11.6 | 35.4 | 1.3 |
| Completeness [%] | 99.8 | 98.1 | 99.9 |
| Redundancy | 4.4 | 3.8 | 4.4 |
| CC(1/2) | 0.997 | 0.999 | 0.513 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 25% PEG 1500, 0.1M PCTP Buffer, pH 9.0 |
