2B7F
Crystal structure of human T-cell leukemia virus protease, a novel target for anti-cancer design
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 | 2003-07-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 134.319, 77.793, 80.376 |
| Unit cell angles | 90.00, 99.28, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.600 |
| R-factor | 0.20225 |
| Rwork | 0.198 |
| R-free | 0.27835 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | HIVPR pdb entry 1nh0 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.176 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.630 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 24654 | |
| <I/σ(I)> | 21.7 | 2.8 |
| Completeness [%] | 98.1 | 85.7 |
| Redundancy | 6.55 | 3.53 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 293 | PEG8000, PEG300, DTT and Sodium Acetate, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
