3LIN
crystal structure of HTLV protease complexed with the inhibitor, KNI-10562
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 | 2008-10-31 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 134.360, 77.308, 159.170 |
| Unit cell angles | 90.00, 95.09, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.960 |
| R-factor | 0.21438 |
| Rwork | 0.213 |
| R-free | 0.26225 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2b7f |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.785 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0104) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Number of reflections | 112737 | |
| <I/σ(I)> | 24.9 | 3.1 |
| Completeness [%] | 97.1 | 79.3 |
| Redundancy | 3.1 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 293 | 26% Pentaerythritol ethoxylate, 0.2M ZnSO4, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
