5UGD
Protease Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-11-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.520, 39.490, 62.380 |
| Unit cell angles | 90.00, 111.91, 90.00 |
Refinement procedure
| Resolution | 32.620 - 1.380 |
| R-factor | 0.1614 |
| Rwork | 0.160 |
| R-free | 0.18170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 1BML |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.100 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.100 | 1.450 |
| High resolution limit [Å] | 1.380 | 1.380 |
| Rmerge | 0.085 | 0.455 |
| Number of reflections | 46170 | |
| <I/σ(I)> | 14.3 | 2.2 |
| Completeness [%] | 99.5 | 96.8 |
| Redundancy | 8 | 3.7 |
| CC(1/2) | 0.999 | 0.743 |
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) |
