3LCM
Crystal structure of Smu.1420 from Streptococcus mutans UA159
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BSRF BEAMLINE 1W2B |
| Synchrotron site | BSRF |
| Beamline | 1W2B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-01-20 |
| Detector | MAR555 FLAT PANEL |
| Wavelength(s) | 0.9796 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.601, 79.118, 106.281 |
| Unit cell angles | 90.00, 90.01, 90.00 |
Refinement procedure
| Resolution | 29.019 - 1.799 |
| R-factor | 0.161 |
| Rwork | 0.160 |
| R-free | 0.18770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zx1 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.034 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.799 | 1.799 |
| Number of reflections | 73792 | |
| Completeness [%] | 95.4 | 92.3 |
| Redundancy | 3.5 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2M KCl, 0.05M HEPES pH7.5, 35% v/v Pentaerythritol propoxylate(5/4 PO/OH), VAPOR DIFFUSION, SITTING DROP, temperature 293K |
