5E9D
RD-1 Mart-1 High bound to Mart-1 decameric peptide (ELA) in complex with HLA-A2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-08 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.438, 164.484, 95.201 |
| Unit cell angles | 90.00, 100.56, 90.00 |
Refinement procedure
| Resolution | 20.040 - 2.510 |
| R-factor | 0.183 |
| Rwork | 0.180 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ftv |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.724 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP (11.1.03) |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.040 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.131 | 0.548 |
| Number of reflections | 47876 | |
| <I/σ(I)> | 10.1 | |
| Completeness [%] | 92.4 | 74.3 |
| Redundancy | 3.3 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 300 | PEG 4000, 0.002 M Zinc Acetate, 5% 2- propanol. |
