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 |