4RVA
A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for deacylation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2014-01-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.997 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.045, 59.505, 86.260 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.981 - 1.440 |
R-factor | 0.1692 |
Rwork | 0.168 |
R-free | 0.19360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1btl |
RMSD bond length | 0.007 |
RMSD bond angle | 1.087 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: dev_1819)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 59.510 | 59.510 | 1.460 |
High resolution limit [Å] | 1.440 | 7.890 | 1.440 |
Rmerge | 0.029 | 0.597 | |
Number of reflections | 55742 | ||
<I/σ(I)> | 47.4 | 2.5 | |
Completeness [%] | 99.9 | 99.5 | 99.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 20% PEG 3350, 0.2M sodium citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |