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) |