2GTW
Human Class I MHC HLA-A2 in complex with the nonameric Melan-A/MART-1(27-35) peptide having A27L substitution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-08-20 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.309, 84.271, 84.293 |
| Unit cell angles | 90.00, 90.11, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.548 |
| R-factor | 0.18317 |
| Rwork | 0.181 |
| R-free | 0.21768 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tvb |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.730 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.610 |
| High resolution limit [Å] | 1.548 | 1.548 |
| Rmerge | 0.108 | 0.354 |
| Number of reflections | 110421 | |
| <I/σ(I)> | 14.8 | 2.11 |
| Completeness [%] | 93.2 | 71.2 |
| Redundancy | 3.1 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | PEG 3350 24%, MES 0.025M, HCOOK 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
