4GD8
SHV-1 beta-lactamase in complex with penam sulfone SA3-53
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-24 |
| Detector | NOIR-1 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.394, 55.460, 83.649 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.890 - 1.600 |
| R-factor | 0.19993 |
| Rwork | 0.198 |
| R-free | 0.24200 |
| Structure solution method | Isomorphous replacement |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.741 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.890 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.070 | 0.280 |
| Number of reflections | 29342 | |
| <I/σ(I)> | 8.3 | 2.5 |
| Completeness [%] | 99.6 | 99.5 |
| Redundancy | 3.5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 25% PEG 6000, 100mM HEPES pH7.0, 0.56mM Cymal-6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
