3LEH
The Crystal Structure of smu.943c from Streptococcus mutans UA159
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BSRF BEAMLINE 3W1A |
| Synchrotron site | BSRF |
| Beamline | 3W1A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-21 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 131.641, 56.077, 51.553 |
| Unit cell angles | 90.00, 90.32, 90.00 |
Refinement procedure
| Resolution | 40.480 - 1.700 |
| R-factor | 0.21884 |
| Rwork | 0.217 |
| R-free | 0.25444 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x9e |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.140 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 35962 | |
| Completeness [%] | 86.6 | 43.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 20.0% PEG MME 5000, 0.1M HEPES, pH 7.0, 0.5M Na-nitrate, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
