1T5W
HLA-DR1 in complex with a synthetic peptide (AAYSDQATPLLLSPR)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-04-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 96.554, 112.646, 206.976 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.900 - 2.400 |
| R-factor | 0.2311 |
| Rwork | 0.231 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aqd |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.900 | 2.550 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.053 | 0.312 |
| Number of reflections | 44505 | |
| <I/σ(I)> | 11 | 3.5 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 6 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 298 | PEG 6000, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
