5IQ8
Crystal structure of TEM1 beta-lactamase mutant A224C/G283C disulfide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-04-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.858, 84.705, 96.344 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.610 - 2.060 |
| R-factor | 0.197 |
| Rwork | 0.191 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hvi |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.597 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.17) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.610 | 2.110 |
| High resolution limit [Å] | 2.060 | 2.060 |
| Rmerge | 0.130 | 0.555 |
| Number of reflections | 59865 | |
| <I/σ(I)> | 5.6 | |
| Completeness [%] | 99.0 | 99.7 |
| Redundancy | 2.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 0.2 M ammonium tartrate dibasic (pH 7.0), 20% (w/v) PEG 3350 |
