2HDU
AmpC beta-lactamase in complex with 2-acetamidothiophene-3-carboxylic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Detector technology | CCD |
| Collection date | 2005-10-14 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 117.905, 77.057, 97.520 |
| Unit cell angles | 90.00, 116.86, 90.00 |
Refinement procedure
| Resolution | 87.040 - 1.490 |
| R-factor | 0.136 |
| Rwork | 0.135 |
| R-free | 0.16800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.823 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.540 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.042 | 0.359 |
| Number of reflections | 126514 | |
| <I/σ(I)> | 14.6 | 2.3 |
| Completeness [%] | 99.8 | 99.5 |
| Redundancy | 2.8 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
