3NJQ
Crystal structure of Kaposi's sarcoma-associated herpesvirus 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 | 2010-02-15 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 69.317, 95.994, 119.244 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.000 - 2.000 |
R-factor | 0.205 |
Rwork | 0.203 |
R-free | 0.24800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.019 |
RMSD bond angle | 1.979 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.040 |
High resolution limit [Å] | 2.000 | 5.130 | 2.000 |
Rmerge | 0.063 | 0.019 | 0.580 |
Number of reflections | 27034 | ||
<I/σ(I)> | 9.5 | ||
Completeness [%] | 99.9 | 99.7 | 100 |
Redundancy | 4.1 | 4 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.2M NaCl, 0.05M CaCo, 2M (NH4)2SO4, 0.1M Urea, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |