5HW1
Crystal structure of TEM1 beta-lactamase in the presence of 1.2 MPa xenon
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 | 60.690, 84.610, 95.940 |
| Unit cell angles | 90.00, 90.06, 90.00 |
Refinement procedure
| Resolution | 51.265 - 1.700 |
| R-factor | 0.1533 |
| Rwork | 0.151 |
| R-free | 0.19040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hvi |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.202 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.5.8) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.270 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.097 | 0.346 |
| Number of reflections | 106586 | |
| <I/σ(I)> | 13.1 | 5.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.1 | 7.1 |
| CC(1/2) | 0.998 |
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 |
