3HUM
Crystal structure of Penicillin binding protein 4 from Staphylococcus aureus COL in complex with Cefotaxime
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-03 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 89.150, 97.970, 98.070 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.340 - 2.300 |
| R-factor | 0.206 |
| Rwork | 0.202 |
| R-free | 0.26500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tvf |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.975 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.340 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.082 | 0.491 |
| Number of reflections | 38899 | |
| <I/σ(I)> | 16.5 | 4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.9 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 24% PEG3350, 240mM Ammonium Sulphate, 100mM Bis-tris, pH6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
