4JM7
1.82 Angstrom resolution crystal structure of holo-(acyl-carrier-protein) synthase (acpS) from Staphylococcus aureus
Replaces: 3F09Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-02 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.394, 77.398, 81.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.890 - 1.824 |
| R-factor | 0.18635 |
| Rwork | 0.184 |
| R-free | 0.22479 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f7l |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.289 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.860 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.051 | 0.543 |
| Number of reflections | 37963 | |
| <I/σ(I)> | 24.97 | 2.58 |
| Completeness [%] | 98.3 | 91.8 |
| Redundancy | 5.5 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | The Classics II Suite, condition 22, mixed 1:1 v/v with protein sample (7.3 mg/mL, 0.25M NaCl, 5mM BME, 10mM Tris/HCl pH 8.3), pH 7.0, VAPOR DIFFUSION, temperature 295K, VAPOR DIFFUSION, SITTING DROP |
