2IFW
Crystal structure of scytalido-glutamic peptidase with a transition state analog inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-20 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.115869 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.563, 55.211, 151.672 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.300 |
| R-factor | 0.265 |
| Rwork | 0.221 |
| R-free | 0.26500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdb id 1S2B |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.720 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 17716 | |
| Completeness [%] | 98.1 | 96.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 25% PEG 3300, 0.2 M NaCl, 0.1 M Bis-Tris buffer, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
