5UR3
Kaposi's Sarcoma Herpesvirus Protease in Complex with Allosteric Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-09-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 67.400, 92.860, 118.930 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.640 - 1.800 |
R-factor | 0.182 |
Rwork | 0.180 |
R-free | 0.22300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.339 |
Data reduction software | xia2 |
Data scaling software | SCALA |
Phasing software | PHENIX (Phenix 1.8.4 Phaser 2.1) |
Refinement software | PHENIX (1.10PRE_2100) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 59.470 |
High resolution limit [Å] | 1.760 |
Number of reflections | 37258 |
<I/σ(I)> | 21.4 |
Completeness [%] | 99.8 |
Redundancy | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.3M Imidazole pH 8.0, 0.4M NaH2PO4/1.6M K2HPO4, 0.2M NaCl |