3LIV
crystal structure of HTLV protease complexed with the inhibitor KNI-10683
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-30 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 77.772, 77.772, 162.972 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.590 |
| R-factor | 0.20245 |
| Rwork | 0.201 |
| R-free | 0.26219 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2b7f |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.694 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0057) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.690 |
| High resolution limit [Å] | 2.590 | 2.600 |
| Number of reflections | 9072 | |
| <I/σ(I)> | 25.4 | 4.9 |
| Completeness [%] | 94.0 | 58.3 |
| Redundancy | 8.2 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 293 | 17%PEG8000 adn 16% PEG300 0.2M KH2PO4, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
