3U7K
Crystal structures of the Staphylococcus aureus peptide deformylase in complex with two classes of new inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-06-21 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 0.9722 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 93.776, 120.269, 47.753 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.21623 |
| Rwork | 0.214 |
| R-free | 0.26609 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q1y |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.334 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 1.900 |
| Number of reflections | 21933 |
| Completeness [%] | 99.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 297 | 23%(w/v) PEG 4000, 50mM Tris-HCl, 15%(v/v) glycerol, 100mM MgCl2, 20mM CaCl2, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
