3VFF
BlaC E166A CDC-OMe Acyl-Intermediate Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 120 |
| Wavelength(s) | 0.91943 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.061, 96.603, 108.555 |
| Unit cell angles | 90.00, 107.69, 90.00 |
Refinement procedure
| Resolution | 47.161 - 2.777 |
| R-factor | 0.2462 |
| Rwork | 0.245 |
| R-free | 0.25970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gdn |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.277 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 47.168 | 2.846 |
| High resolution limit [Å] | 2.777 | 6.686 | 2.777 |
| Rmerge | 0.120 | ||
| Number of reflections | 38850 | ||
| Completeness [%] | 99.0 | 94 | 75 |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 291 | pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
