3U7L
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 | 2003-06-26 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 0.9722 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 94.781, 120.209, 47.786 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.010 |
| R-factor | 0.20828 |
| Rwork | 0.207 |
| R-free | 0.23593 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q1y |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.357 |
| 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] | 50.000 |
| High resolution limit [Å] | 2.000 |
| Number of reflections | 18445 |
| Completeness [%] | 100.0 |
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 |
