3URE
Repack mutant (T181I, W199L, Q210I) of alpha-Lytic Protease
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-06-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9778 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 84.325, 84.325, 235.103 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.790 - 1.490 |
| R-factor | 0.13929 |
| Rwork | 0.137 |
| R-free | 0.17039 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.029 |
| RMSD bond angle | 1.929 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.530 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Number of reflections | 78513 | |
| <I/σ(I)> | 14 | 2.7 |
| Completeness [%] | 97.4 | 94.9 |
| Redundancy | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 1.3 M lithium sulfate, 10 mM CuCl2, and 20 mM Tris sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
