3TBE
The crystal structure of the complex of Streptococcus agalactiae sortase C1 and MTSET
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-08-04 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.541 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 122.410, 70.650, 194.440 |
| Unit cell angles | 90.00, 90.43, 90.00 |
Refinement procedure
| Resolution | 27.707 - 2.850 |
| R-factor | 0.25266 |
| Rwork | 0.250 |
| R-free | 0.29604 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tb7 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.617 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 196.116 | 2.950 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.060 | 0.331 |
| Number of reflections | 38964 | |
| <I/σ(I)> | 11.1 | 3 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 3.45 | 3.57 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 1.6 M ammonium sulfate, 5% PEG3350, 0.446 M sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
