3IWO
X-ray crystal structure of the extended-spectrum AmpC Y221G mutant beta-lactamase at 1.90 Angstrom resolution
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 | 2008-08-31 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.11587 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 117.717, 76.789, 98.693 |
| Unit cell angles | 90.00, 116.62, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| R-factor | 0.15919 |
| Rwork | 0.157 |
| R-free | 0.19671 |
| Structure solution method | Rigid body refinement from wild-type structure |
| Starting model (for MR) | 1ke4 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.443 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 88.388 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.071 | 0.277 |
| Number of reflections | 61926 | |
| <I/σ(I)> | 18.1 | 2.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.1 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 293 | 1.7M KPi, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
