5F5D
Crystal structures and Inhibition kinetics reveal a two-state catalytic mechanism with drug design implications for rhomboid proteolysis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-09-24 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.981 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 71.185, 98.147, 62.999 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.500 |
| R-factor | 0.21189 |
| Rwork | 0.208 |
| R-free | 0.28384 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ic8 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.908 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.437 | |
| Number of reflections | 10370 | |
| <I/σ(I)> | 6.9 | 1.9 |
| Completeness [%] | 98.4 | 74.1 |
| Redundancy | 6.8 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 2.5M NaCl, 5% Glycerol, 0.1M Sodium acetate pH5, 7% DMPC/CHAPSO bicelle |
