5UGG
Protease Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-29 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.95370 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.550, 39.480, 62.130 |
| Unit cell angles | 90.00, 111.88, 90.00 |
Refinement procedure
| Resolution | 32.570 - 1.200 |
| R-factor | 0.165 |
| Rwork | 0.164 |
| R-free | 0.17600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.130 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.650 | 1.260 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.050 | 0.424 |
| Number of reflections | 67976 | |
| <I/σ(I)> | 33.7 | 7.2 |
| Completeness [%] | 97.4 | 83.1 |
| Redundancy | 13.3 | 7.8 |
| CC(1/2) | 1.000 | 0.945 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 10 % (w/v) polyethylene glycol 6,000, 4 % (v/v) 2-methyl-2,4-pentanediol, 0.1M (2-(N-morpholino)ethanesulfonic acid) |
