3N8R
Crystal Structure of BlaC-E166A covalently bound with Carbenicillin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.631, 67.856, 75.390 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.690 - 1.410 |
R-factor | 0.149 |
Rwork | 0.147 |
R-free | 0.18200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dwz |
RMSD bond length | 0.011 |
RMSD bond angle | 1.393 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.690 | 1.446 |
High resolution limit [Å] | 1.410 | 1.410 |
Rmerge | 0.067 | 0.827 |
Number of reflections | 49804 | |
<I/σ(I)> | 23.1 | 2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 4.2 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M HEPES, 2 M NH4H2PO4, pH 7.5, Vapor diffusion, Sitting drop, temperature 298K |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M HEPES, 2 M NH4H2PO4, pH 7.5, Vapor diffusion, Sitting drop, temperature 298K |