4E2A
Crystal Structure of the Putative acetyltransferase from Streptococcus mutans
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 | 2010-12-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 41 |
| Unit cell lengths | 75.700, 75.700, 80.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.996 - 2.000 |
| R-factor | 0.2162 |
| Rwork | 0.215 |
| R-free | 0.24050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tiq |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.120 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.066 | 0.271 |
| Number of reflections | 30907 | |
| <I/σ(I)> | 22.83 | 6.21 |
| Completeness [%] | 95.3 | 100 |
| Redundancy | 18.4 | 19.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SOLID-LIQUID INTERFACE METHOD | 7 | 289.2 | 0.2M Magnesium formate, 20% PEG 3350, pH 7.0, SOLID-LIQUID INTERFACE METHOD, temperature 289.2K |
