1P99
1.7A crystal structure of protein PG110 from Staphylococcus aureus
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-02-05 |
| Detector | SBC-2 |
| Wavelength(s) | 0.9795, 0.9798, 0.94656 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.496, 73.883, 92.246 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 * - 1.700 |
| R-factor | 0.2 |
| Rwork | 0.200 |
| R-free | 0.23600 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 22.600 * |
| Data reduction software | d*TREK |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.069 | 0.555 |
| Number of reflections | 31255 | |
| <I/σ(I)> | 38.87 | 2.6 |
| Completeness [%] | 99.4 | 97.1 |
| Redundancy | 10.45 | 7.11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 16 * | 50mM Ammonium Sulfate, 30% pentaerythritol ethoxylate, 50 mM Bis/Tris, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 80 (mg/ml) | |
| 2 | 1 | drop | HEPES-HCl | 20 (mM) | pH8.0 |
| 3 | 1 | drop | 200 (mM) | ||
| 4 | 1 | drop | dithiothreitol | 1 (mM) | |
| 5 | 1 | reservoir | Bis-Tris | 50 (mM) | pH6.5 |
| 6 | 1 | reservoir | ammonium sulfate | 50 (mM) | |
| 7 | 1 | reservoir | pentaerythritol ethoxylate 15/4 | 27 (%) |
