3LA8
The Crystal Structure of smu.1229 from Streptococcus mutans UA159
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9792 |
| Spacegroup name | H 3 |
| Unit cell lengths | 113.000, 113.000, 60.100 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 18.830 - 1.800 |
| R-factor | 0.20801 |
| Rwork | 0.206 |
| R-free | 0.24452 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fxu |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.507 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 22326 | |
| Completeness [%] | 84.2 | 78.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 25% (w/v) PEG 3350, 0.15M ammonium sulfate, 0.1M bis-tris, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
