5MZM
Structure of H-2Db in complex with TEIPP APL Trh4 p3P
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-10-15 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 91.350, 125.010, 98.053 |
| Unit cell angles | 90.00, 103.53, 90.00 |
Refinement procedure
| Resolution | 36.201 - 2.400 |
| R-factor | 0.2286 |
| Rwork | 0.226 |
| R-free | 0.26810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s7u |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.657 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.500 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.087 | 0.290 |
| Number of reflections | 41766 | 4378 |
| <I/σ(I)> | 7 | 2.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.6 | 3.6 |
| CC(1/2) | 0.991 | 0.913 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277.15 | 2 M Ammonium sulphate, 0.1 M Tris-HCl, 0.5 M NaCl |
