3H02
2.15 Angstrom Resolution Crystal Structure of Naphthoate Synthase from Salmonella typhimurium.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-08 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97925 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.897, 132.819, 151.791 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.830 - 2.150 |
| R-factor | 0.17096 |
| Rwork | 0.169 |
| R-free | 0.21520 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.356 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.5.0051) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.190 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.088 | 0.487 |
| Number of reflections | 82913 | |
| <I/σ(I)> | 43.5 | 6.1 |
| Completeness [%] | 98.9 | 98.2 |
| Redundancy | 14.9 | 14.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 295 | Protein solution: 0.3M NaCl, 10mM HEPES (pH 7.5); Screen solution: 20% PEG-3350, 0.2M Sodium Sulphate,0.1M B-Tris (pH 5.5); Freezing: Paratone, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
