3ISI
Crystal structure of Sco3058 with bound inhibitor L-Ala-L-Asp Phosphinodipeptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Detector technology | CCD |
| Collection date | 2009-04-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9756 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 96.690, 96.690, 104.600 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 83.620 - 2.200 |
| R-factor | 0.17791 |
| Rwork | 0.175 |
| R-free | 0.22855 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3itc |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.725 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 83.620 |
| High resolution limit [Å] | 2.200 |
| Completeness [%] | 99.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 0.2 M magnesium chloride hexahydrate, 0.1 Tris pH 8.5, 18% PEG-4000, VAPOR DIFFUSION, HANGING DROP |
