1NAN
MCH CLASS I H-2KB MOLECULE COMPLEXED WITH PBM1 PEPTIDE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-06-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.940 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.981, 88.614, 89.174 |
| Unit cell angles | 90.00, 111.60, 90.00 |
Refinement procedure
| Resolution | 12.000 - 2.300 |
| R-factor | 0.229 |
| Rwork | 0.224 |
| R-free | 0.27800 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kj3 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.290 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.300 * | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.067 * | 0.270 * |
| Number of reflections | 41983 | |
| <I/σ(I)> | 7.1 | 2.5 |
| Completeness [%] | 98.6 * | 97 * |
| Redundancy | 6.0 * | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 20 * | PEG6000 16-17%, NaAc 0.2M, NaCl 0.3M, Mes 0.1M, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | reservoir | PEG6000 | 16-17 (%) | |
| 3 | 1 | reservoir | MES | 0.1 (M) | pH6.8 |
| 4 | 1 | reservoir | 0.2 (M) | ||
| 5 | 1 | reservoir | 0.3 (M) |
