1A9B
DECAMER-LIKE CONFORMATION OF A NANO-PEPTIDE BOUND TO HLA-B3501 DUE TO NONSTANDARD POSITIONING OF THE C-TERMINUS
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-04 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.740, 116.390, 169.340 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.000 - 3.200 |
| R-factor | 0.251 |
| Rwork | 0.251 |
| R-free | 0.30500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hhi |
| RMSD bond length | 0.006 |
| RMSD bond angle | 26.200 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.000 | 3.200 |
| High resolution limit [Å] | 3.200 | 2.310 |
| Rmerge | 0.097 * | |
| Total number of observations | 99761 * | |
| Number of reflections | 13463 | |
| <I/σ(I)> | 5.4 | 1.9 |
| Completeness [%] | 86.2 | 88.6 |
| Redundancy | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.6 | 18 * | 20% MPD, 20% PEG 6000, 1% GLYCEROL, 100 MM SODIUM CITRATE, PH 5.6 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 7 (mg/ml) | |
| 2 | 1 | reservoir | MPD | 20 (%(v/v)) | |
| 3 | 1 | reservoir | PEG6000 | 20 (%(v/v)) | |
| 4 | 1 | reservoir | glycerol | 1 (%(v/v)) | |
| 5 | 1 | reservoir | sodium citrate | 0.1 (M) | pH5.6 |
