5GHX
Crystal structure of beta-lactamase PenP mutant-E166H
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2012-11-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979228 |
| Spacegroup name | P 1 |
| Unit cell lengths | 43.331, 45.849, 66.139 |
| Unit cell angles | 77.84, 75.65, 69.09 |
Refinement procedure
| Resolution | 33.270 - 1.240 |
| R-factor | 0.1396 |
| Rwork | 0.138 |
| R-free | 0.16120 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.947 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.260 |
| High resolution limit [Å] | 1.240 | 3.370 | 1.240 |
| Rmerge | 0.052 | 0.041 | 0.174 |
| Total number of observations | 233139 | ||
| Number of reflections | 118377 | ||
| <I/σ(I)> | 14.7 | ||
| Completeness [%] | 91.5 | 88 | 70.3 |
| Redundancy | 2 | 2 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.1M Tris pH 8.0, 22.5% PEG 3350, 0.4M ammonium acetate |
