2RCX
AmpC Beta-lactamase in complex with (1R)-1-(2-Thiophen-2-yl-acetylamino)-1-(3-(2-carboxyvinyl)-phenyl) methylboronic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-18 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.115889 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.378, 76.937, 97.254 |
| Unit cell angles | 90.00, 115.87, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| Rwork | 0.176 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ke4 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.482 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC (5.2.0019) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.069 | 0.492 |
| Number of reflections | 53511 | |
| <I/σ(I)> | 8.7 | 2.07 |
| Completeness [%] | 99.8 | 98.8 |
| Redundancy | 3.9 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 293 | potassium phosphate buffer, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
