3LBB
The Crystal Structure of smu.793 from Streptococcus mutans UA159
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-002 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-15 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 64.704, 72.787, 56.682 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.360 - 2.100 |
| R-factor | 0.18483 |
| Rwork | 0.183 |
| R-free | 0.21878 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1psu |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.131 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.790 | 2.000 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Number of reflections | 16819 | |
| Completeness [%] | 81.0 | 84.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 2.0M ammonium sulfate, 0.1M HEPES pH 7.5, 0.1M NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
