7B12
HUMAN IMMUNOPROTEASOME 20S PARTICLE IN COMPLEX WITH [2-(3-ethylphenyl)-1-[(2S)-3-phenyl-2-[(pyrazin-2-yl)formamido]propanamido]ethyl]boronic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-09-22 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.917300 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 118.995, 201.736, 161.932 |
| Unit cell angles | 90.00, 106.83, 90.00 |
Refinement procedure
| Resolution | 107.890 - 2.430 |
| R-factor | 0.1822 |
| Rwork | 0.180 |
| R-free | 0.22450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.000 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7 (18-SEP-2020)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 107.890 | 2.657 |
| High resolution limit [Å] | 2.430 | 2.430 |
| Rmeas | 0.133 | |
| Rpim | 0.060 | 0.542 |
| Number of reflections | 177341 | 8868 |
| <I/σ(I)> | 9.8 | 1.6 |
| Completeness [%] | 93.4 | 72.2 |
| Redundancy | 4.5 | 5.3 |
| CC(1/2) | 0.998 | 0.569 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 291 | 42 % MPD, 0.20 M NaSCN, |
