2I8C
Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-10-10 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.802, 66.972, 78.992 |
| Unit cell angles | 90.00, 96.05, 90.00 |
Refinement procedure
| Resolution | 47.510 - 2.460 |
| R-factor | 0.21283 |
| Rwork | 0.210 |
| R-free | 0.26926 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2i87 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.776 |
| Refinement software | REFMAC (5.3.0008) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.000 | 2.590 |
| High resolution limit [Å] | 2.460 | 2.500 |
| Rmerge | 0.070 | 0.621 |
| Number of reflections | 23741 | |
| <I/σ(I)> | 23.9 | 2 |
| Completeness [%] | 99.0 | 99.2 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
