3ROL
Murine class I major histocompatibility complex H-2Kb in complex with post-translationally modified LCMV-derived gp34-41 peptide, comprising a nitrotyrosine at position 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-20 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.466, 88.496, 119.050 |
| Unit cell angles | 90.00, 94.71, 90.00 |
Refinement procedure
| Resolution | 50.300 - 2.600 |
| R-factor | 0.249 |
| Rwork | 0.246 |
| R-free | 0.29500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s7q |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.285 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.300 | 2.750 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.119 | |
| Number of reflections | 32268 | |
| <I/σ(I)> | 12.9 | 3.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.3 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.7 | 293 | 1.8 M NaH2PO4/K2HPO4, 1.5% MPD, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
