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) |