3L9C
The Crystal Structure of smu.777 from Streptococcus mutans UA159
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-09 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97156 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.280, 62.940, 65.070 |
| Unit cell angles | 90.00, 91.99, 90.00 |
Refinement procedure
| Resolution | 28.888 - 1.600 |
| R-factor | 0.223 |
| Rwork | 0.222 |
| R-free | 0.25160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ocz |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.907 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.560 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Number of reflections | 66453 | |
| Completeness [%] | 99.9 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.05M Magnesium Chloride hexahydrate, 0.1M HEPES pH7.5, 30% PEGMME550, 0.01M Phenol, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
