5C0D
HLA-A02 carrying AQWGPDPAAA
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 | 2009-11-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97630 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.840, 81.150, 56.190 |
| Unit cell angles | 90.00, 112.32, 90.00 |
Refinement procedure
| Resolution | 31.220 - 1.680 |
| R-factor | 0.1737 |
| Rwork | 0.172 |
| R-free | 0.21430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3utq |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.825 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.15) |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 31.221 | 31.221 | 1.720 |
| High resolution limit [Å] | 1.680 | 7.510 | 1.680 |
| Rmerge | 0.030 | 0.681 | |
| Rmeas | 0.112 | ||
| Rpim | 0.056 | 0.018 | 0.488 |
| Total number of observations | 192943 | 2313 | 12608 |
| Number of reflections | 49373 | ||
| <I/σ(I)> | 8.7 | 23 | 1.5 |
| Completeness [%] | 98.8 | 98.2 | 97.5 |
| Redundancy | 3.9 | 4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2M sodium malonate, 0.1M BIS TRIS propane, pH 6.5, 20% PEG3350 |
