5HW5
Crystal structure of TEM1 beta-lactamase in the presence of 2.0 MPa xenon
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-12-11 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.440, 84.620, 96.011 |
| Unit cell angles | 90.00, 90.58, 90.00 |
Refinement procedure
| Resolution | 34.661 - 1.410 |
| R-factor | 0.1859 |
| Rwork | 0.184 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hvi |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.239 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.5.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.380 | 1.430 |
| High resolution limit [Å] | 1.410 | 1.410 |
| Rmerge | 0.096 | 0.583 |
| Number of reflections | 180127 | |
| <I/σ(I)> | 6 | 1.5 |
| Completeness [%] | 97.2 | 95.3 |
| Redundancy | 3.2 | 3.2 |
| CC(1/2) | 0.995 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | 2% (v/v) tacsimate (pH 6.0), 0.1 M Bis-Tris (pH 6.5), 20% (w/v) PEG 3350 |
