4L3C
Structure of HLA-A2 in complex with D76N b2m mutant and NY-ESO1 double mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2012-09-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9393 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 102.110, 314.500, 316.230 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.480 - 2.640 |
| R-factor | 0.2001 |
| Rwork | 0.199 |
| R-free | 0.21834 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s9w |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.218 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.630 | 2.790 |
| High resolution limit [Å] | 2.640 | 2.640 |
| Rmerge | 0.168 | 0.905 |
| Number of reflections | 293400 | |
| <I/σ(I)> | 6.8 | 1.9 |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 5.3 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.9 M ammonium sulphate, 2% PEG 6K, 100 mM Tris-HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
