3N8L
Crystal Structure of BlaC-E166A covalently bound with Ampicillin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.100 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.703, 67.836, 75.245 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.100 - 1.400 |
| R-factor | 0.137 |
| Rwork | 0.136 |
| R-free | 0.16500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.343 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.100 | 1.436 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.086 | 0.356 |
| Number of reflections | 50715 | |
| <I/σ(I)> | 6 | 1.6 |
| Completeness [%] | 99.8 | 99.35 |
| Redundancy | 7.7 | 7.8 |
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 |
