3HUN
Crystal structure of Penicillin binding protein 4 from Staphylococcus aureus COL in complex with Ampicillin
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 | 2009-05-02 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.2818 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 90.810, 98.480, 99.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.530 - 2.000 |
| R-factor | 0.20612 |
| Rwork | 0.204 |
| R-free | 0.25079 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tvf |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.962 |
| 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] | 34.990 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.088 | 0.472 |
| Number of reflections | 60831 | |
| <I/σ(I)> | 16.7 | 4.1 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 7.4 | 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 |
