3NR6
Crystal structure of xenotropic murine leukemia virus-related virus (XMRV) protease
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 | 2010-04-10 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 4 2 2 |
| Unit cell lengths | 63.915, 63.915, 106.509 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.970 |
| R-factor | 0.19737 |
| Rwork | 0.196 |
| R-free | 0.23322 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | ASSEMBLY OF RETROVIRAL PROTEASES |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.837 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0104) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.044 | 0.257 |
| Number of reflections | 16141 | |
| <I/σ(I)> | 32.1 | 3.23 |
| Completeness [%] | 98.5 | 82.1 |
| Redundancy | 4.3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | PROTEIN CONCENTRATION: 10 MG/ML PRECIPITANT: 0.06 M KH2PO4, 1.34 M NA2HPO4, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
