4P3H
Crystal structure of Kaposi's sarcoma-associated herpesvirus (KSHV) protease in complex with dimer disruptor
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) | 1.0 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 69.120, 95.892, 119.342 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.812 - 1.450 |
R-factor | 0.1741 |
Rwork | 0.173 |
R-free | 0.19480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3njq |
RMSD bond length | 0.012 |
RMSD bond angle | 1.457 |
Data scaling software | SCALA (3.3.21) |
Phasing software | PHENIX (Phenix 1.8.4 Phaser 2.1) |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 59.812 | 59.812 | 1.510 |
High resolution limit [Å] | 1.430 | 4.520 | 1.430 |
Rmerge | 0.058 | 0.919 | |
Rmeas | 0.102 | ||
Rpim | 0.028 | 0.018 | 0.362 |
Total number of observations | 748120 | 34013 | 84478 |
Number of reflections | 135014 | ||
<I/σ(I)> | 13.1 | 36.8 | 2.1 |
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 10.2 | 13.6 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 0.1M sodium acetate pH 7.8, 0.88 M NaH2PO4, 1.32 M K2HPO4, 0.2 M KCl |